symbol,chembl_target_id,molecule_chembl_id,molecule_pref_name,standard_type,standard_value,standard_units,standard_relation,assay_description,document_year,standard_value_num,molecule_label,molecule_query_status,molecule_pref_name_detail,molecule_type,max_phase,first_approval,oral,parenteral,black_box_warning,therapeutic_flag,availability_type,withdrawn_flag,canonical_smiles,rdkit_valid,mw,logp,tpsa,hbd,hba,rotatable_bonds,lipinski_violations,bbb_rule_score_0_6,cns_like_flag,approval_or_clinical_score_0_4,potency_score_0_5,compound_priority_score_0_100,selectivity_status,active_target_count_lte_1000nM,activity_record_count_lte_1000nM,activity_types,polypharmacology_flag,selectivity_penalty_0_20,safety_liability_penalty_0_30,refined_compound_score_0_100,triage_recommendation
SLC6A3,CHEMBL238,CHEMBL353333,,Ki,0.12,nM,=,In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT),2003.0,0.12,CHEMBL353333,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2,True,371.22,2.69,38.33,1.0,3.0,2.0,0.0,6.0,True,0.0,5.0,80.0,ok,2.0,2.0,IC50;Ki,False,2.0,0.0,78.0,shortlist for deeper validation
NTRK1,CHEMBL2815,CHEMBL211168,,IC50,1.0,nM,<,Inhibition of TrkA kinase,2006.0,1.0,CHEMBL211168,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)Nc1snc(SC2CCCCc3ccccc32)c1C(N)=O,True,362.48,3.29,111.1,3.0,5.0,4.0,0.0,5.0,True,0.0,5.0,75.0,ok,1.0,2.0,IC50,False,0.0,0.0,75.0,shortlist for deeper validation
NTRK1,CHEMBL2815,CHEMBL211095,,IC50,1.0,nM,<,Inhibition of TrkA kinase,2006.0,1.0,CHEMBL211095,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)Nc1snc(S[C@@H]2CCCCc3ccccc32)c1C(N)=O,True,362.48,3.29,111.1,3.0,5.0,4.0,0.0,5.0,True,0.0,5.0,75.0,ok,1.0,3.0,IC50,False,0.0,0.0,75.0,shortlist for deeper validation
NTRK1,CHEMBL2815,CHEMBL1794058,GW278681X,IC50,6.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,6.0,GW278681X,ok,GW278681X,Small molecule,,,False,False,0.0,False,-1.0,0.0,CS(=O)(=O)Nc1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1,True,329.38,2.46,87.3,3.0,4.0,4.0,0.0,6.0,True,0.0,4.221848749616356,73.8,ok,1.0,2.0,IC50,False,0.0,0.0,73.8,shortlist for deeper validation
SLC6A3,CHEMBL238,CHEMBL173427,,Ki,1.88,nM,=,In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT),2003.0,1.88,CHEMBL173427,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=C/I)cc1)N2,True,397.26,3.49,38.33,1.0,3.0,3.0,0.0,6.0,True,0.0,4.72584215073632,77.8,ok,3.0,3.0,Ki,False,4.0,0.0,73.8,shortlist for deeper validation
NTRK1,CHEMBL2815,CHEMBL175321,,IC50,6.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,6.0,CHEMBL175321,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1Nc2ccccc2/C1=C1\CCc2cc(O)ccc21,True,263.3,3.2,49.33,2.0,2.0,0.0,0.0,6.0,True,0.0,4.221848749616356,73.8,ok,1.0,2.0,IC50,False,0.0,0.0,73.8,shortlist for deeper validation
NTRK1,CHEMBL2815,CHEMBL1794056,GW301789X,IC50,8.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,8.0,GW301789X,ok,GW301789X,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1Nc2ccccc2/C1=C/Nc1ccc(-n2cncn2)cc1,True,303.32,2.67,71.84,2.0,5.0,3.0,0.0,6.0,True,0.0,4.096910013008056,72.8,ok,1.0,2.0,IC50,False,0.0,0.0,72.8,shortlist for deeper validation
SLC6A3,CHEMBL238,CHEMBL27586,,IC50,9.2,nM,=,Displacement of [3H]mazindol from dopamine transporter,1993.0,9.2,CHEMBL27586,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN1C2CCC1[C@@H]([C@@H](O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2,True,333.78,3.83,23.47,1.0,2.0,2.0,0.0,6.0,True,0.0,4.036212172654444,72.3,ok,1.0,2.0,IC50,False,0.0,0.0,72.3,shortlist for deeper validation
SLC6A3,CHEMBL238,CHEMBL174088,,Ki,3.47,nM,=,In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT),2003.0,3.47,CHEMBL174088,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(/C=C\I)cc1)N2,True,397.26,3.49,38.33,1.0,3.0,3.0,0.0,6.0,True,0.0,4.459670525209126,75.7,ok,3.0,3.0,Ki,False,4.0,0.0,71.7,shortlist for deeper validation
NTRK1,CHEMBL2815,CHEMBL172179,,IC50,12.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,12.0,CHEMBL172179,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Cn1cc(/C=C2\C(=O)Nc3ncccc32)c2ccccc21,True,275.31,3.07,46.92,1.0,3.0,1.0,0.0,6.0,True,0.0,3.920818753952375,71.4,ok,1.0,2.0,IC50,False,0.0,0.0,71.4,shortlist for deeper validation
SLC6A3,CHEMBL238,CHEMBL28394,,Ki,0.22,nM,=,Binding constant for the ability to displace [3H]mazindol to dopamine receptor was calculated from the Cheng-Prusoff relationship,1993.0,0.22,CHEMBL28394,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN1C2CCC1[C@@H](/C=C/Cl)[C@@H](c1ccc(Cl)cc1)C2,True,296.24,4.66,3.24,0.0,1.0,2.0,0.0,5.0,True,0.0,5.0,75.0,ok,3.0,10.0,IC50;Ki,False,4.0,0.0,71.0,shortlist for deeper validation
SLC6A3,CHEMBL238,CHEMBL281288,,IC50,1.2,nM,=,Ability to displace [3H]-Mazindol from dopamine receptor,1993.0,1.2,CHEMBL281288,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,C=C[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,True,261.8,4.09,3.24,0.0,1.0,2.0,0.0,5.0,True,0.0,4.920818753952375,74.4,ok,3.0,6.0,IC50;Ki,False,4.0,0.0,70.4,shortlist for deeper validation
SLC6A3,CHEMBL238,CHEMBL27336,,IC50,2.6,nM,=,Inhibitory concentration against [3H]dopamine uptake,1993.0,2.6,CHEMBL27336,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C,True,263.81,4.32,3.24,0.0,1.0,2.0,0.0,5.0,True,0.0,4.585026652029182,71.7,ok,2.0,4.0,IC50;Ki,False,2.0,0.0,69.7,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593932,,Ki,2.1,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,2.1,CHEMBL3593932,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(OCCF)cc1,True,444.46,5.59,72.68,0.0,4.0,8.0,1.0,5.0,True,0.0,4.6777807052660805,72.4,ok,3.0,3.0,Ki,False,4.0,0.0,68.4,experimental comparator
NTRK1,CHEMBL2815,CHEMBL1794057,GW284408X,IC50,7.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,7.0,GW284408X,ok,GW284408X,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1Nc2ccccc2/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1,True,292.3,2.26,89.78,4.0,3.0,2.0,0.0,5.0,True,0.0,4.154901959985743,68.2,ok,1.0,3.0,IC50,False,0.0,0.0,68.2,experimental comparator
SLC6A3,CHEMBL238,CHEMBL311347,,Ki,0.48,nM,=,In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT),2003.0,0.48,CHEMBL311347,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C,True,385.25,3.03,29.54,0.0,3.0,2.0,0.0,6.0,True,0.0,5.0,80.0,ok,7.0,33.0,IC50;Ki,False,12.0,0.0,68.0,experimental comparator
GLP1R,CHEMBL1784,CHEMBL398714,,IC50,32.0,nM,=,Effect on augmentation of [125]GLP1 binding to human GLP1,2007.0,32.0,CHEMBL398714,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC(C)(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O,True,348.26,3.55,71.95,1.0,5.0,2.0,0.0,6.0,True,0.0,3.4948500216800937,68.0,ok,1.0,3.0,EC50;IC50,False,0.0,0.0,68.0,experimental comparator
SNCA,CHEMBL6152,CHEMBL2063787,,Ki,32.1,nM,=,Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay,2012.0,32.1,CHEMBL2063787,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2,True,274.3,3.81,64.4,1.0,5.0,2.0,0.0,6.0,True,0.0,3.493494967595128,67.9,ok,1.0,3.0,IC50;Kd;Ki,False,0.0,0.0,67.9,experimental comparator
NTRK1,CHEMBL2815,CHEMBL211883,,IC50,8.0,nM,=,Inhibition of TrkA kinase,2006.0,8.0,CHEMBL211883,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CNC(=O)Nc1snc(SC2CCc3cc(Cl)ccc32)c1C(N)=O,True,382.9,3.43,97.11,3.0,5.0,4.0,0.0,5.0,True,0.0,4.096910013008056,67.8,ok,1.0,2.0,IC50,False,0.0,0.0,67.8,experimental comparator
SLC6A3,CHEMBL238,CHEMBL814,FLUVOXAMINE,Ki,1.46,nM,=,In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT),2003.0,1.46,FLUVOXAMINE,ok,FLUVOXAMINE,Small molecule,4.0,1994.0,True,False,1.0,True,1.0,0.0,COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,True,318.34,3.2,56.84,1.0,4.0,9.0,0.0,5.0,True,4.0,4.835647144215563,93.7,ok,9.0,14.0,AC50;EFTPC;IC50;Ki;Potency,False,16.0,10.0,67.7,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593904,,Ki,11.5,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,11.5,CHEMBL3593904,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)Nc3ncccc32)cc1,True,291.35,3.2,45.23,1.0,3.0,3.0,0.0,6.0,True,0.0,3.939302159646388,71.5,ok,3.0,3.0,Ki,False,4.0,0.0,67.5,experimental comparator
NTRK1,CHEMBL2815,CHEMBL2113063,,IC50,3.0,nM,=,Inhibition of baculovirus expressed human trkA,2005.0,3.0,CHEMBL2113063,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,C[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,True,423.47,4.5,68.42,2.0,5.0,0.0,0.0,5.0,True,0.0,4.522878745280337,71.2,ok,3.0,4.0,IC50,False,4.0,0.0,67.2,experimental comparator
NTRK1,CHEMBL2815,CHEMBL445660,,IC50,10.0,nM,=,Inhibition of TrkA kinase,2006.0,10.0,CHEMBL445660,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)Nc1snc(SC2CCc3cc(Cl)ccc32)c1C(N)=O,True,368.87,3.17,111.1,3.0,5.0,4.0,0.0,5.0,True,0.0,4.0,67.0,ok,1.0,2.0,IC50,False,0.0,0.0,67.0,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593922,,Ki,14.6,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,14.6,CHEMBL3593922,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1Nc2ccccc2/C1=C/C=C/c1ccc([N+](=O)[O-])cc1,True,292.29,3.64,72.24,1.0,3.0,3.0,0.0,6.0,True,0.0,3.835647144215563,70.7,ok,3.0,3.0,Ki,False,4.0,0.0,66.7,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593930,,Ki,3.5,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,3.5,CHEMBL3593930,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC,True,442.47,5.26,81.91,0.0,5.0,7.0,1.0,5.0,True,0.0,4.455931955649724,70.6,ok,3.0,3.0,Ki,False,4.0,0.0,66.6,experimental comparator
SLC6A3,CHEMBL238,CHEMBL306700,VILOXAZINE,Kd,155.0,nM,=,Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT,1998.0,155.0,VILOXAZINE,ok,VILOXAZINE,Small molecule,4.0,2021.0,True,False,1.0,True,1.0,0.0,CCOc1ccccc1OCC1CNCCO1,True,237.3,1.45,39.72,1.0,4.0,5.0,0.0,6.0,True,4.0,2.8096683018297086,82.5,ok,4.0,6.0,AC50;IC50;Kd;Ki,False,6.0,10.0,66.5,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593928,,Ki,3.8,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,3.8,CHEMBL3593928,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1cccc(CN2C(=O)/C(=C\C=C\c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1,True,412.45,5.25,72.68,0.0,4.0,6.0,1.0,5.0,True,0.0,4.42021640338319,70.4,ok,3.0,3.0,Ki,False,4.0,0.0,66.4,experimental comparator
SLC6A3,CHEMBL238,CHEMBL173594,,IC50,28.0,nM,=,Binding affinity towards dopamine transporter (DAT) by using [3H]WIN-35428 as radioligand,2003.0,28.0,CHEMBL173594,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,C/C=C/c1ccc([C@H]2CC3CCC([C@H]2C(=O)OC)N3C)cc1,True,299.41,3.46,29.54,0.0,3.0,3.0,0.0,6.0,True,0.0,3.552841968657781,68.4,ok,2.0,2.0,IC50,False,2.0,0.0,66.4,experimental comparator
SLC6A3,CHEMBL238,CHEMBL610897,,IC50,1.7,nM,=,Ability to displace [3H]mazindol from dopamine transporter,1993.0,1.7,CHEMBL610897,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C,True,293.79,3.08,29.54,0.0,3.0,2.0,0.0,6.0,True,0.0,4.769551078621726,78.2,ok,7.0,35.0,IC50;Ki,False,12.0,0.0,66.2,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593911,,Ki,4.2,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,4.2,CHEMBL3593911,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1,True,425.49,5.3,66.69,0.0,4.0,6.0,1.0,5.0,True,0.0,4.376750709602099,70.0,ok,3.0,3.0,Ki,False,4.0,0.0,66.0,experimental comparator
SLC6A3,CHEMBL238,CHEMBL435341,,IC50,32.0,nM,=,Binding affinity towards dopamine transporter (DAT) by using [3H]WIN-35428 as radioligand,2003.0,32.0,CHEMBL435341,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,C/C=C\c1ccc([C@H]2CC3CCC([C@H]2C(=O)OC)N3C)cc1,True,299.41,3.46,29.54,0.0,3.0,3.0,0.0,6.0,True,0.0,3.4948500216800937,68.0,ok,2.0,2.0,IC50,False,2.0,0.0,66.0,experimental comparator
SLC6A3,CHEMBL238,CHEMBL2115570,,IC50,16.0,nM,=,Inhibitory concentration against [3H]dopamine uptake,1993.0,16.0,CHEMBL2115570,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN1C2CCC1[C@H](C=CCl)[C@@H](c1ccc(Cl)cc1)C2,True,296.24,4.66,3.24,0.0,1.0,2.0,0.0,5.0,True,0.0,3.795880017344075,65.4,ok,1.0,4.0,IC50,False,0.0,0.0,65.4,experimental comparator
SLC6A3,CHEMBL238,CHEMBL72,DESIPRAMINE,Ki,0.49,nM,=,In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT),2003.0,0.49,DESIPRAMINE,ok,DESIPRAMINE,Small molecule,4.0,1964.0,True,False,1.0,True,1.0,0.0,CNCCCN1c2ccccc2CCc2ccccc21,True,266.39,3.53,15.27,1.0,2.0,4.0,0.0,6.0,True,4.0,5.0,100.0,ok,21.0,72.0,AC50;EC50;EFTPC;IC50;K0.5;Kd;Ki;Potency,True,20.0,15.0,65.0,experimental comparator
NTRK1,CHEMBL2815,CHEMBL208881,,IC50,19.0,nM,=,Inhibition of TrkA kinase,2006.0,19.0,CHEMBL208881,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1cccnc1,True,376.89,4.33,80.9,2.0,6.0,6.0,0.0,5.0,True,0.0,3.721246399047171,64.8,ok,1.0,2.0,IC50,False,0.0,0.0,64.8,experimental comparator
NTRK1,CHEMBL2815,CHEMBL2113064,,IC50,2.9,nM,=,Inhibition of baculovirus expressed human trkA,2005.0,2.9,CHEMBL2113064,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CO[C@]1(CO)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,True,453.5,4.13,77.65,2.0,6.0,2.0,0.0,4.0,False,0.0,4.537602002101044,66.3,ok,2.0,2.0,IC50,False,2.0,0.0,64.3,experimental comparator
GLP1R,CHEMBL1784,CHEMBL250091,,IC50,91.0,nM,=,Effect on augmentation of [125]GLP1 binding to human GLP1,2007.0,91.0,CHEMBL250091,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F,True,345.13,3.36,59.92,0.0,4.0,1.0,0.0,6.0,True,0.0,3.040958607678906,64.3,ok,1.0,1.0,IC50,False,0.0,0.0,64.3,experimental comparator
GLP1R,CHEMBL1784,CHEMBL249091,,IC50,107.0,nM,=,Effect on augmentation of [125]GLP1 binding to human GLP1,2007.0,107.0,CHEMBL249091,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O,True,334.23,3.16,71.95,1.0,5.0,3.0,0.0,6.0,True,0.0,2.9706162223147903,63.8,ok,1.0,2.0,EC50;IC50,False,0.0,0.0,63.8,experimental comparator
GLP1R,CHEMBL1784,CHEMBL402918,,IC50,109.0,nM,=,Effect on augmentation of [125]GLP1 binding to human GLP1,2007.0,109.0,CHEMBL402918,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCNc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O,True,320.2,2.77,71.95,1.0,5.0,3.0,0.0,6.0,True,0.0,2.962573502059376,63.7,ok,1.0,2.0,EC50;IC50,False,0.0,0.0,63.7,experimental comparator
SNCA,CHEMBL6152,CHEMBL1976750,,Ki,116.5,nM,=,Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay,2012.0,116.5,CHEMBL1976750,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=[N+]([O-])c1ccc2c(c1)Sc1ccccc1N2,True,244.28,3.8,55.17,1.0,4.0,1.0,0.0,6.0,True,0.0,2.9336740746379624,63.5,ok,1.0,2.0,IC50;Ki,False,0.0,0.0,63.5,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593934,,Kd,8.9,nM,=,Binding affinity to recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1 hr by scintillation counting,2015.0,8.9,CHEMBL3593934,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(OCC[18F])cc1,True,443.46,5.59,72.68,0.0,4.0,8.0,1.0,5.0,True,0.0,4.050609993355087,67.4,ok,3.0,3.0,Kd,False,4.0,0.0,63.4,experimental comparator
NTRK1,CHEMBL2815,CHEMBL377243,,IC50,28.0,nM,=,Inhibition of TrkA kinase,2006.0,28.0,CHEMBL377243,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)c1c(SCc2ccccc2Cl)nsc1Nc1ccncc1,True,376.89,4.33,80.9,2.0,6.0,6.0,0.0,5.0,True,0.0,3.552841968657781,63.4,ok,1.0,1.0,IC50,False,0.0,0.0,63.4,experimental comparator
NTRK1,CHEMBL2815,CHEMBL212317,,IC50,29.0,nM,=,Inhibition of TrkA kinase,2006.0,29.0,CHEMBL212317,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC(Cc1ccc(Cl)cc1)Sc1nsc(Nc2cccnc2)c1C(N)=O,True,404.95,4.76,80.9,2.0,6.0,7.0,0.0,5.0,True,0.0,3.537602002101044,63.3,ok,1.0,1.0,IC50,False,0.0,0.0,63.3,experimental comparator
SNCA,CHEMBL6152,CHEMBL2063785,,Ki,121.8,nM,=,Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay,2012.0,121.8,CHEMBL2063785,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc2c(c1)Sc1cc(OC)ccc1N2,True,259.33,3.91,30.49,1.0,4.0,2.0,0.0,6.0,True,0.0,2.914352711703144,63.3,ok,1.0,2.0,IC50;Ki,False,0.0,0.0,63.3,experimental comparator
SLC6A3,CHEMBL238,CHEMBL285342,,IC50,125.0,nM,=,Inhibitory concentration against [3H]dopamine uptake,1993.0,125.0,CHEMBL285342,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN1C2CCC1[C@H](C(O)C(F)(F)F)[C@@H](c1ccc(Cl)cc1)C2,True,333.78,3.83,23.47,1.0,2.0,2.0,0.0,6.0,True,0.0,2.903089986991944,63.2,ok,1.0,3.0,IC50,False,0.0,0.0,63.2,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593903,,Ki,40.7,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,40.7,CHEMBL3593903,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)Nc3ccccc32)cc1,True,290.37,3.8,32.34,1.0,2.0,3.0,0.0,6.0,True,0.0,3.39040559077478,67.1,ok,3.0,3.0,Ki,False,4.0,0.0,63.1,experimental comparator
SLC6A3,CHEMBL238,CHEMBL14370,REBOXETINE,Ki,60.0,nM,=,In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT),2003.0,60.0,REBOXETINE,ok,REBOXETINE,Small molecule,4.0,1997.0,True,False,0.0,True,-1.0,0.0,CCOc1ccccc1OC(c1ccccc1)C1CNCCO1,True,313.4,3.19,39.72,1.0,4.0,6.0,0.0,6.0,True,4.0,3.221848749616356,85.8,ok,10.0,31.0,AC50;IC5;IC50;Ki,True,18.0,5.0,62.8,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593918,,Ki,44.8,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,44.8,CHEMBL3593918,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Nc1ccc(/C=C/C=C2\C(=O)Nc3ccccc32)cc1,True,262.31,3.32,55.12,2.0,2.0,2.0,0.0,6.0,True,0.0,3.348721986001856,66.8,ok,3.0,3.0,Ki,False,4.0,0.0,62.8,experimental comparator
SLC6A3,CHEMBL238,CHEMBL120490,,Ki,10.9,nM,=,Binding Affinity to cocaine site of dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]mazindol. ,2000.0,10.9,CHEMBL120490,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN1CCC(O)(c2ccc(Cl)c(Cl)c2)C(C(=O)c2ccc(Cl)c(Cl)c2)C1,True,433.16,5.32,40.54,1.0,3.0,3.0,1.0,5.0,True,0.0,3.962573502059376,66.7,ok,3.0,3.0,Ki,False,4.0,0.0,62.7,experimental comparator
IL17A,CHEMBL3390822,CHEMBL4872143,,IC50,2.0,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2021.0,2.0,CHEMBL4872143,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@@H](CC(F)F)c3cnc4ccc(F)cn34)ccc2[nH]1)C1CCC(F)(F)CC1,True,605.54,6.26,114.0,2.0,7.0,8.0,2.0,3.0,False,0.0,4.698970004336019,62.6,ok,1.0,1.0,IC50,False,0.0,0.0,62.6,experimental comparator
GLP1R,CHEMBL1784,CHEMBL399713,,EC50,175.0,nM,=,Agonist activity at human GLP1 assessed as stimulation of cAMP,2007.0,175.0,CHEMBL399713,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O,True,348.26,3.55,71.95,1.0,5.0,4.0,0.0,6.0,True,0.0,2.7569619513137056,62.1,ok,1.0,1.0,EC50,False,0.0,0.0,62.1,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593926,,Ki,12.9,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,12.9,CHEMBL3593926,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1,True,412.45,5.25,72.68,0.0,4.0,6.0,1.0,5.0,True,0.0,3.889410289700751,66.1,ok,3.0,3.0,Ki,False,4.0,0.0,62.1,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593905,,Ki,54.0,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,54.0,CHEMBL3593905,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)Nc3ccc(O)cc32)cc1,True,306.37,3.51,52.57,2.0,3.0,3.0,0.0,6.0,True,0.0,3.2676062401770314,66.1,ok,3.0,3.0,Ki,False,4.0,0.0,62.1,experimental comparator
GBA1,CHEMBL2179,CHEMBL3349996,,Ki,2.4,nM,=,Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method,2001.0,2.4,CHEMBL3349996,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)cccc12,True,395.48,-0.76,122.13,5.0,7.0,6.0,0.0,3.0,False,0.0,4.619788758288394,62.0,ok,1.0,1.0,Ki,False,0.0,0.0,62.0,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593902,,Ki,61.1,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,61.1,CHEMBL3593902,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(/C=C/C=C2\C(=O)Nc3ccccc32)cc1,True,277.32,3.74,38.33,1.0,2.0,3.0,0.0,6.0,True,0.0,3.213958789757446,65.7,ok,3.0,3.0,Ki,False,4.0,0.0,61.7,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593908,,Ki,63.7,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,63.7,CHEMBL3593908,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)N(C)c3ccccc32)cc1,True,304.39,3.83,23.55,0.0,2.0,3.0,0.0,6.0,True,0.0,3.1958605676646497,65.6,ok,3.0,3.0,Ki,False,4.0,0.0,61.6,experimental comparator
NTRK1,CHEMBL2815,CHEMBL176857,GW442130X,IC50,8.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,8.0,GW442130X,ok,GW442130X,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccccc1-c1cc(/C=C2\C(=O)Nc3ncc(Br)cc32)cc(Br)c1O,True,502.16,5.48,71.45,2.0,4.0,3.0,2.0,4.0,False,0.0,4.096910013008056,62.8,ok,2.0,3.0,IC50,False,2.0,0.0,60.8,experimental comparator
NTRK1,CHEMBL2815,CHEMBL2113062,,IC50,20.0,nM,=,Inhibition of baculovirus expressed human trkA,2005.0,20.0,CHEMBL2113062,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,C[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,True,423.47,4.5,68.42,2.0,5.0,0.0,0.0,5.0,True,0.0,3.6989700043360183,64.6,ok,3.0,3.0,IC50,False,4.0,0.0,60.6,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593924,,Ki,25.0,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,25.0,CHEMBL3593924,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1,True,382.42,5.24,63.45,0.0,3.0,5.0,1.0,5.0,True,0.0,3.6020599913279625,63.8,ok,3.0,3.0,Ki,False,4.0,0.0,59.8,experimental comparator
NTRK1,CHEMBL2815,CHEMBL94678,,IC50,1.2,nM,=,"Inhibition of nerve growth factor receptor, trkA",2002.0,1.2,CHEMBL94678,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,True,467.48,3.66,94.72,2.0,7.0,1.0,0.0,4.0,False,0.0,4.920818753952375,69.4,ok,6.0,9.0,IC50,False,10.0,0.0,59.4,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593893,,Ki,124.3,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,124.3,CHEMBL3593893,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C2\C(=O)Nc3ncccc32)cc1,True,265.32,2.64,45.23,1.0,3.0,2.0,0.0,6.0,True,0.0,2.905528871358355,63.2,ok,3.0,3.0,Ki,False,4.0,0.0,59.2,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593915,,Ki,29.8,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,29.8,CHEMBL3593915,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)c3cccnc32)cc1,True,411.51,4.8,45.67,0.0,4.0,6.0,0.0,5.0,True,0.0,3.5257837359237447,63.2,ok,3.0,3.0,Ki,False,4.0,0.0,59.2,experimental comparator
SLC6A3,CHEMBL238,CHEMBL2079586,,IC50,12.9,nM,=,Displacement of [3H]WIN-35428 from monkey dopamine transporter,1994.0,12.9,CHEMBL2079586,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C,True,277.34,2.57,29.54,0.0,3.0,2.0,0.0,6.0,True,0.0,3.889410289700751,71.1,ok,7.0,83.0,IC50;Ki,False,12.0,0.0,59.1,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593909,,Ki,40.9,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,40.9,CHEMBL3593909,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1,True,380.49,5.4,23.55,0.0,2.0,5.0,1.0,5.0,True,0.0,3.388276691992658,62.1,ok,3.0,3.0,Ki,False,4.0,0.0,58.1,experimental comparator
SLC6A3,CHEMBL238,CHEMBL295467,NISOXETINE,Ki,30.0,nM,=,In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT),2003.0,30.0,NISOXETINE,ok,NISOXETINE,Small molecule,2.0,,False,False,0.0,False,,0.0,CNCCC(Oc1ccccc1OC)c1ccccc1,True,271.36,3.42,30.49,1.0,3.0,7.0,0.0,6.0,True,2.0,3.5228787452803374,78.2,ok,14.0,36.0,IC50;Ki;Potency,True,20.0,5.0,53.2,experimental comparator
SLC6A3,CHEMBL238,CHEMBL370805,COCAINE,Ki,32.0,nM,=,Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (high affinity),1996.0,32.0,COCAINE,ok,COCAINE,Small molecule,4.0,2017.0,False,False,1.0,True,1.0,0.0,COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,True,303.36,1.87,55.84,0.0,5.0,3.0,0.0,6.0,True,4.0,3.4948500216800937,88.0,ok,15.0,372.0,IC50;Kd;Ki;Km,True,20.0,15.0,53.0,experimental comparator
NTRK1,CHEMBL2815,CHEMBL176544,,IC50,2.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,2.0,CHEMBL176544,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Cn1cc(/C=C2\C(=O)Nc3cccnc32)c2ccccc21,True,275.31,3.07,46.92,1.0,3.0,1.0,0.0,6.0,True,0.0,4.698970004336019,77.6,ok,12.0,15.0,IC50,True,20.0,5.0,52.6,experimental comparator
LRRK2,CHEMBL1075104,CHEMBL502835,NINTEDANIB,Kd,37.0,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,37.0,NINTEDANIB,ok,NINTEDANIB,Small molecule,4.0,2014.0,True,False,0.0,True,1.0,0.0,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,True,539.64,3.62,94.22,2.0,7.0,7.0,1.0,4.0,False,4.0,3.431798275933005,77.5,ok,176.0,333.0,Cp;EC50;IC50;Kd;Ki,True,20.0,5.0,52.5,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593916,,Ki,43.6,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,43.6,CHEMBL3593916,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccc(N)cc3)c3ccccc32)cc1,True,395.51,4.98,49.57,1.0,3.0,5.0,0.0,5.0,True,0.0,3.3605135107314137,61.9,,,,,False,10.0,0.0,51.9,experimental comparator
NTRK1,CHEMBL2815,CHEMBL377040,,IC50,45.0,nM,=,Inhibition of TrkA kinase,2006.0,45.0,CHEMBL377040,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncc1,True,376.89,4.33,80.9,2.0,6.0,6.0,0.0,5.0,True,0.0,3.346787486224656,61.8,,,,,False,10.0,0.0,51.8,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593913,,Ki,45.3,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,45.3,CHEMBL3593913,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCOC(=O)N1C(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)c2ccccc21,True,362.43,4.35,49.85,0.0,4.0,4.0,0.0,5.0,True,0.0,3.343901797987168,61.8,,,,,False,10.0,0.0,51.8,experimental comparator
NTRK1,CHEMBL2815,CHEMBL377444,,IC50,47.0,nM,=,Inhibition of TrkA kinase,2006.0,47.0,CHEMBL377444,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncn1,True,377.88,3.72,93.79,2.0,7.0,6.0,0.0,5.0,True,0.0,3.3279021420642825,61.6,,,,,False,10.0,0.0,51.6,experimental comparator
SNCA,CHEMBL6152,CHEMBL2063797,,Ki,49.0,nM,=,Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay,2012.0,49.0,CHEMBL2063797,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=[N+]([O-])c1ccc2c(c1)Sc1cc(OCCF)ccc1N2,True,306.32,4.15,64.4,1.0,5.0,4.0,0.0,5.0,True,0.0,3.309803919971486,61.5,,,,,False,10.0,0.0,51.5,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593901,,Ki,206.7,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,206.7,CHEMBL3593901,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1Nc2ccccc2/C1=C/C=C/c1ccccc1,True,247.3,3.74,29.1,1.0,1.0,2.0,0.0,6.0,True,0.0,2.684659523372712,61.5,,,,,False,10.0,0.0,51.5,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593923,,Ki,211.4,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,211.4,CHEMBL3593923,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1Nc2ccccc2/C1=C\C=C\c1ccc([N+](=O)[O-])cc1,True,292.29,3.64,72.24,1.0,3.0,3.0,0.0,6.0,True,0.0,2.674895017028593,61.4,,,,,False,10.0,0.0,51.4,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593931,,Ki,53.3,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,53.3,CHEMBL3593931,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1OC,True,442.47,5.26,81.91,0.0,5.0,7.0,1.0,5.0,True,0.0,3.273272790973428,61.2,,,,,False,10.0,0.0,51.2,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593910,,Ki,54.6,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,54.6,CHEMBL3593910,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)c3ccccc32)cc1,True,410.52,5.4,32.78,0.0,3.0,6.0,1.0,5.0,True,0.0,3.2628073572952627,61.1,,,,,False,10.0,0.0,51.1,experimental comparator
SNCA,CHEMBL6152,CHEMBL2063798,,Ki,57.9,nM,=,Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay,2012.0,57.9,CHEMBL2063798,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=[N+]([O-])c1ccc2c(c1)Sc1cc(OC/C=C/I)ccc1N2,True,426.23,5.13,64.4,1.0,5.0,4.0,1.0,5.0,True,0.0,3.2373214362725635,60.9,,,,,False,10.0,0.0,50.9,experimental comparator
GLP1R,CHEMBL1784,CHEMBL250747,,IC50,253.0,nM,=,Effect on augmentation of [125]GLP1 binding to human GLP1,2007.0,253.0,CHEMBL250747,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O,True,319.21,3.46,59.92,0.0,4.0,2.0,0.0,6.0,True,0.0,2.596879478824182,60.8,,,,,False,10.0,0.0,50.8,experimental comparator
NTRK1,CHEMBL2815,CHEMBL369490,,IC50,61.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,61.0,CHEMBL369490,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1Nc2ncc(Br)cc2/C1=C/c1cccc(Oc2ccccc2)c1,True,393.24,5.13,51.22,1.0,3.0,3.0,1.0,5.0,True,0.0,3.214670164989233,60.7,,,,,False,10.0,0.0,50.7,experimental comparator
NTRK1,CHEMBL2815,CHEMBL1794059,GW275616X,IC50,63.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,63.0,GW275616X,ok,GW275616X,Small molecule,,,False,False,0.0,False,-1.0,0.0,NS(=O)(=O)c1cccc(N/C=C2\C(=O)Nc3ccccc32)c1,True,315.35,1.74,101.29,3.0,4.0,3.0,0.0,5.0,True,0.0,3.2006594505464183,60.6,,,,,False,10.0,0.0,50.6,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593929,,Ki,64.7,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,64.7,CHEMBL3593929,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1cccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1,True,412.45,5.25,72.68,0.0,4.0,6.0,1.0,5.0,True,0.0,3.1890957193312994,60.5,,,,,False,10.0,0.0,50.5,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593917,,Ki,68.1,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,68.1,CHEMBL3593917,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1,True,366.46,5.53,23.55,0.0,2.0,4.0,1.0,5.0,True,0.0,3.166852888087215,60.3,,,,,False,10.0,0.0,50.3,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593914,,Ki,68.3,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,68.3,CHEMBL3593914,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccccc3)c3ncccc32)cc1,True,381.48,4.79,36.44,0.0,3.0,5.0,0.0,5.0,True,0.0,3.165579296318468,60.3,,,,,False,10.0,0.0,50.3,experimental comparator
IL17A,CHEMBL3390822,CHEMBL4864604,,IC50,17.0,nM,=,Inhibition of IL-17A (unknown origin),2024.0,17.0,CHEMBL4864604,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(=O)N1Cc2cc(S(C)(=O)=O)ccc2[C@@H]1C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,True,524.44,3.44,103.78,2.0,5.0,4.0,1.0,4.0,False,0.0,3.769551078621726,60.2,,,,,False,10.0,0.0,50.2,experimental comparator
SLC6A3,CHEMBL238,CHEMBL539050,,Kd,70.0,nM,=,Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT,1998.0,70.0,CHEMBL539050,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1.Cl,True,341.88,4.64,23.47,1.0,2.0,5.0,0.0,5.0,True,0.0,3.154901959985743,60.2,,,,,False,10.0,0.0,50.2,experimental comparator
SNCA,CHEMBL6152,CHEMBL3593907,,Ki,72.5,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,72.5,CHEMBL3593907,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(/C=C/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1,True,367.45,5.34,29.54,0.0,2.0,5.0,1.0,5.0,True,0.0,3.139661993429006,60.1,,,,,False,10.0,0.0,50.1,experimental comparator
IL17A,CHEMBL3390822,CHEMBL5091495,,IC50,0.7943,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2022.0,0.7943,CHEMBL5091495,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(F)(F)CNC(=O)[C@@H](CC(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F,True,618.55,5.77,125.8,3.0,6.0,11.0,2.0,2.0,False,0.0,5.0,60.0,,,,,False,10.0,0.0,50.0,review manually
IL17A,CHEMBL3390822,CHEMBL4870813,,IC50,1.0,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2021.0,1.0,CHEMBL4870813,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)(F)F)c3nnc4ccc(C#N)cn34)ccc2[nH]1)C1CCC(F)(F)CC1,True,631.54,5.69,150.68,2.0,9.0,7.0,2.0,2.0,False,0.0,5.0,60.0,,,,,False,10.0,0.0,50.0,review manually
SNCA,CHEMBL6152,CHEMBL2063788,,Ki,75.3,nM,=,Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay,2012.0,75.3,CHEMBL2063788,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=[N+]([O-])c1ccc2c(c1)Sc1cc(Br)ccc1N2,True,323.17,4.57,55.17,1.0,4.0,1.0,0.0,5.0,True,0.0,3.1232050237992994,60.0,,,,,False,10.0,0.0,50.0,review manually
LRRK2,CHEMBL1075104,CHEMBL535,SUNITINIB,Kd,76.0,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,76.0,SUNITINIB,ok,SUNITINIB,Small molecule,4.0,2006.0,True,False,1.0,True,1.0,0.0,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,True,398.48,3.33,77.23,3.0,3.0,7.0,0.0,6.0,True,4.0,3.1191864077192086,85.0,ok,243.0,1000.0,Cmax;EC50;GI50;IC50;IC90;INH;Kd;Ki;Potency,True,20.0,15.0,50.0,review manually
SNCA,CHEMBL6152,CHEMBL3593933,,Ki,76.1,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,76.1,CHEMBL3593933,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(OCCF)cc1,True,444.46,5.59,72.68,0.0,4.0,8.0,1.0,5.0,True,0.0,3.1186153432294272,59.9,,,,,False,10.0,0.0,49.9,review manually
SLC6A3,CHEMBL238,CHEMBL150045,,Ki,79.0,nM,=,Affinity to displace binding of [3H]WIN-35428 to dopamine transporter,2003.0,79.0,CHEMBL150045,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,c1ccc(C(c2ccccc2)c2ccncc2)cc1,True,245.32,4.26,12.89,0.0,1.0,3.0,0.0,5.0,True,0.0,3.1023729087095586,59.8,,,,,False,10.0,0.0,49.8,review manually
SNCA,CHEMBL6152,CHEMBL3593900,,Ki,79.5,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,79.5,CHEMBL3593900,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)c3cccnc32)cc1,True,385.47,4.24,45.67,0.0,4.0,5.0,0.0,5.0,True,0.0,3.099632871343529,59.8,,,,,False,10.0,0.0,49.8,review manually
SNCA,CHEMBL6152,CHEMBL3593927,,Ki,81.9,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,81.9,CHEMBL3593927,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1,True,412.45,5.25,72.68,0.0,4.0,6.0,1.0,5.0,True,0.0,3.086716098239582,59.7,,,,,False,10.0,0.0,49.7,review manually
SLC6A3,CHEMBL238,CHEMBL539054,,Kd,340.0,nM,=,Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT,1998.0,340.0,CHEMBL539054,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1.Cl,True,305.85,3.81,46.25,2.0,2.0,4.0,0.0,6.0,True,0.0,2.468521082957745,59.7,,,,,False,10.0,0.0,49.7,review manually
SNCA,CHEMBL6152,CHEMBL3593898,,Ki,342.6,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,342.6,CHEMBL3593898,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCOC(=O)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)c2ccccc21,True,336.39,3.8,49.85,0.0,4.0,3.0,0.0,6.0,True,0.0,2.4652126413705084,59.7,,,,,False,10.0,0.0,49.7,review manually
SNCA,CHEMBL6152,CHEMBL2063786,,Ki,346.0,nM,=,Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay,2012.0,346.0,CHEMBL2063786,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc2c(c1)Sc1cc(C#N)ccc1N2,True,254.31,3.78,45.05,1.0,4.0,1.0,0.0,6.0,True,0.0,2.4609239012072237,59.7,,,,,False,10.0,0.0,49.7,review manually
GBA1,CHEMBL2179,CHEMBL3350092,,Ki,1.2,nM,=,Tested for inhibitory activity against Beta-glucosidase from Agrobacterium species,2001.0,1.2,CHEMBL3350092,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCN(CC)c1ccc2cc(C(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c(=O)oc2c1,True,405.45,-0.58,135.27,5.0,8.0,7.0,0.0,2.0,False,0.0,4.920818753952375,59.4,,,,,False,10.0,0.0,49.4,review manually
LRRK2,CHEMBL1075104,CHEMBL1789941,RUXOLITINIB,Kd,90.0,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,90.0,RUXOLITINIB,ok,RUXOLITINIB,Small molecule,4.0,2011.0,True,False,1.0,True,1.0,0.0,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,True,306.37,3.47,83.18,1.0,5.0,4.0,0.0,6.0,True,4.0,3.045757490560675,84.4,ok,78.0,253.0,EC50;IC50;Kd;Ki,True,20.0,15.0,49.4,review manually
SNCA,CHEMBL6152,CHEMBL3593912,,Ki,92.0,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,92.0,CHEMBL3593912,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C/C=C2\C(=O)N(c3ccncc3)c3ccccc32)cc1,True,367.45,4.92,36.44,0.0,3.0,4.0,0.0,5.0,True,0.0,3.0362121726544444,59.3,,,,,False,10.0,0.0,49.3,review manually
IL17A,CHEMBL3390822,CHEMBL5080633,,IC50,1.259,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2022.0,1.259,CHEMBL5080633,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(F)(F)CNC(=O)C(CC(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F,True,618.55,5.77,125.8,3.0,6.0,11.0,2.0,2.0,False,0.0,4.899974269892137,59.2,,,,,False,10.0,0.0,49.2,review manually
IL17A,CHEMBL3390822,CHEMBL5091603,,IC50,1.259,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2022.0,1.259,CHEMBL5091603,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,COC[C@H](C(=O)NCC(F)(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F,True,602.54,4.67,135.03,3.0,7.0,10.0,1.0,2.0,False,0.0,4.899974269892137,59.2,,,,,False,10.0,0.0,49.2,review manually
SLC6A3,CHEMBL238,CHEMBL342055,,Ki,99.0,nM,=,Affinity to displace binding of [3H]WIN-35428 to dopamine transporter,2003.0,99.0,CHEMBL342055,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,c1ccc(CC(c2ccccc2)c2ccncc2)cc1,True,259.35,4.46,12.89,0.0,1.0,4.0,0.0,5.0,True,0.0,3.0043648054024503,59.0,,,,,False,10.0,0.0,49.0,review manually
MAPK1,CHEMBL4040,CHEMBL361708,HYMENIALDISINE,IC50,6.0,nM,=,In vitro inhibitory concentration against human mitogen-activated protein kinase-1 (MEK-1) by using [gamma-33P]-ATP] as radioligand,2004.0,6.0,HYMENIALDISINE,ok,HYMENIALDISINE,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1,True,324.14,0.07,112.37,4.0,4.0,0.0,0.0,3.0,False,0.0,4.221848749616356,58.8,,,,,False,10.0,0.0,48.8,review manually
SNCA,CHEMBL6152,CHEMBL2063789,,Ki,106.0,nM,=,Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay,2012.0,106.0,CHEMBL2063789,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=[N+]([O-])c1ccc2c(c1)Sc1cc(I)ccc1N2,True,370.17,4.41,55.17,1.0,4.0,1.0,0.0,5.0,True,0.0,2.9746941347352296,58.8,,,,,False,10.0,0.0,48.8,review manually
NTRK1,CHEMBL2815,CHEMBL209535,,IC50,105.0,nM,=,Inhibition of TrkA kinase,2006.0,105.0,CHEMBL209535,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)Nc1snc(SC2CCCc3ccccc32)c1C(N)=O,True,348.45,2.9,111.1,3.0,5.0,4.0,0.0,5.0,True,0.0,2.9788107009300617,58.8,,,,,False,10.0,0.0,48.8,review manually
SNCA,CHEMBL6152,CHEMBL3663947,,Ki,105.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,105.0,CHEMBL3663947,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)s2)cc1O,True,300.34,3.9,80.92,4.0,5.0,2.0,0.0,5.0,True,0.0,2.9788107009300617,58.8,,,,,False,10.0,0.0,48.8,review manually
MAPK1,CHEMBL4040,CHEMBL359106,,IC50,6.0,nM,=,Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1,2002.0,6.0,CHEMBL359106,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC1=N/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)C(=O)N1,True,324.14,0.07,112.37,4.0,4.0,0.0,0.0,3.0,False,0.0,4.221848749616356,58.8,,,,,False,10.0,0.0,48.8,review manually
SLC6A3,CHEMBL238,CHEMBL809,SERTRALINE,Kd,25.0,nM,=,Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT,1998.0,25.0,SERTRALINE,ok,SERTRALINE,Small molecule,4.0,1991.0,True,False,1.0,True,1.0,0.0,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,True,306.24,5.18,12.03,1.0,1.0,2.0,1.0,5.0,True,4.0,3.6020599913279625,83.8,ok,26.0,55.0,AC50;IC50;Kd;Ki,True,20.0,15.0,48.8,review manually
NTRK1,CHEMBL2815,CHEMBL211858,,IC50,111.0,nM,=,Inhibition of TrkA kinase,2006.0,111.0,CHEMBL211858,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CNC(=O)Nc1snc(SC2CCCc3ccccc32)c1C(N)=O,True,362.48,3.16,97.11,3.0,5.0,4.0,0.0,5.0,True,0.0,2.9546770212133424,58.6,,,,,False,10.0,0.0,48.6,review manually
SNCA,CHEMBL6152,CHEMBL3593896,,Ki,114.5,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,114.5,CHEMBL3593896,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)c3ccccc32)cc1,True,384.48,4.85,32.78,0.0,3.0,5.0,0.0,5.0,True,0.0,2.9411945133240933,58.5,,,,,False,10.0,0.0,48.5,review manually
SLC6A3,CHEMBL238,CHEMBL432394,,Ki,115.0,nM,=,In vitro binding affinity on cloned Dopamine transporter,2000.0,115.0,CHEMBL432394,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N,True,292.84,4.14,29.26,1.0,3.0,4.0,0.0,5.0,True,0.0,2.939302159646388,58.5,,,,,False,10.0,0.0,48.5,review manually
IL17A,CHEMBL3390822,CHEMBL5092697,,IC50,1.585,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2022.0,1.585,CHEMBL5092697,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(F)(F)CNC(=O)[C@@H](CC(F)(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C3CC3)C3CCC(F)(F)CC3)nc2c1F,True,636.54,6.07,125.8,3.0,6.0,10.0,2.0,2.0,False,0.0,4.79997073344623,58.4,,,,,False,10.0,0.0,48.4,review manually
NTRK1,CHEMBL2815,CHEMBL2113065,,IC50,29.0,nM,=,Inhibition of baculovirus expressed human trkA,2005.0,29.0,CHEMBL2113065,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,C[C@]12O[C@H](C[C@@]1(O)C(N)=O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,True,452.47,2.97,111.51,3.0,6.0,1.0,0.0,4.0,False,0.0,3.537602002101044,58.3,,,,,False,10.0,0.0,48.3,review manually
SLC6A3,CHEMBL238,CHEMBL539564,,Kd,140.0,nM,=,Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT,1998.0,140.0,CHEMBL539564,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Cl.NC[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1,True,313.83,4.04,46.25,2.0,2.0,4.0,0.0,5.0,True,0.0,2.853871964321762,57.8,,,,,False,10.0,0.0,47.8,review manually
SNCA,CHEMBL6152,CHEMBL3593895,,Ki,144.4,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,144.4,CHEMBL3593895,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1,True,354.45,4.84,23.55,0.0,2.0,4.0,0.0,5.0,True,0.0,2.84043280676638,57.7,,,,,False,10.0,0.0,47.7,review manually
IL17A,CHEMBL3390822,CHEMBL4865978,,IC50,2.0,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2021.0,2.0,CHEMBL4865978,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)(F)F)c3cnnn3CC(F)(F)F)ccc2[nH]1)C1CCC(F)(F)CC1,True,638.49,5.93,127.41,2.0,8.0,8.0,2.0,2.0,False,0.0,4.698970004336019,57.6,,,,,False,10.0,0.0,47.6,review manually
SNCA,CHEMBL6152,CHEMBL3593897,,Ki,149.8,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,149.8,CHEMBL3593897,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C2\C(=O)N(c3ccncc3)c3ccccc32)cc1,True,341.41,4.37,36.44,0.0,3.0,3.0,0.0,5.0,True,0.0,2.824488186636552,57.6,,,,,False,10.0,0.0,47.6,review manually
IL17A,CHEMBL3390822,CHEMBL5087050,,IC50,9.0,nM,=,Inhibition of IL-17A (unknown origin) measured by FRET assay,2021.0,9.0,CHEMBL5087050,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)C(NC(=O)c2ccnn2C)Cc2cc(ccc2Cl)-c2cccc(c2)CCC(=O)N1,True,613.12,3.44,134.22,4.0,6.0,3.0,1.0,3.0,False,0.0,4.045757490560675,57.4,,,,,False,10.0,0.0,47.4,review manually
LRRK2,CHEMBL1075104,CHEMBL608533,MIDOSTAURIN,Kd,180.0,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,180.0,MIDOSTAURIN,ok,MIDOSTAURIN,Small molecule,4.0,2017.0,True,False,0.0,True,1.0,0.0,CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,True,570.65,5.91,77.73,1.0,6.0,3.0,2.0,4.0,False,4.0,2.744727494896694,72.0,ok,397.0,751.0,CC50;Cmax;EC50;GI50;IC50;Kd;Potency,True,20.0,5.0,47.0,review manually
IL17A,CHEMBL3390822,CHEMBL4876088,,IC50,10.1,nM,=,Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method,2021.0,10.1,CHEMBL4876088,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,O=C(N[C@H](c1cn2ncc(CN3C[C@@H](C(F)(F)F)NC3=O)cc2n1)C1CCC(F)(F)CC1)c1nonc1C1CC1,True,568.51,3.74,130.55,2.0,8.0,7.0,1.0,3.0,False,0.0,3.995678626217357,57.0,,,,,False,10.0,0.0,47.0,review manually
IL17A,CHEMBL3390822,CHEMBL4866932,,IC50,10.1,nM,=,Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method,2021.0,10.1,CHEMBL4866932,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,O=C(N[C@H](c1cn2ncc(CN3C[C@@H](C(F)(F)F)NC3=O)cc2n1)C1CCC(F)(F)CC1)c1nonc1C(F)(F)F,True,596.44,3.88,130.55,2.0,8.0,6.0,1.0,3.0,False,0.0,3.995678626217357,57.0,,,,,False,10.0,0.0,47.0,review manually
LRRK2,CHEMBL1075104,CHEMBL1908397,KW-2449,Kd,45.0,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,45.0,KW-2449,ok,KW-2449,Small molecule,1.0,,False,False,0.0,False,,0.0,O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1,True,332.41,2.78,61.02,2.0,3.0,3.0,0.0,6.0,True,1.0,3.346787486224656,71.8,ok,192.0,261.0,EC50;GI50;IC50;Kd,True,20.0,5.0,46.8,review manually
SNCA,CHEMBL6152,CHEMBL3593925,,Ki,192.7,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,192.7,CHEMBL3593925,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1/C(=C/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1,True,382.42,5.24,63.45,0.0,3.0,5.0,1.0,5.0,True,0.0,2.715118285344547,56.7,,,,,False,10.0,0.0,46.7,review manually
IL17A,CHEMBL3390822,CHEMBL4845695,,IC50,2.8,nM,=,Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method,2021.0,2.8,CHEMBL4845695,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,COC[C@H](c1cnn2cc([C@@H](NC(=O)c3nonc3C(F)F)C3CCC(F)(F)CC3)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O,True,622.5,3.99,139.78,2.0,9.0,9.0,1.0,2.0,False,0.0,4.552841968657781,56.4,,,,,False,10.0,0.0,46.4,review manually
NTRK1,CHEMBL2815,CHEMBL535,SUNITINIB,Kd,220.0,nM,=,Average Binding Constant for NTRK1; NA=Not Active at 10 uM,2005.0,220.0,SUNITINIB,ok,SUNITINIB,Small molecule,4.0,2006.0,True,False,1.0,True,1.0,0.0,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,True,398.48,3.33,77.23,3.0,3.0,7.0,0.0,6.0,True,4.0,2.657577319177794,81.3,ok,243.0,1000.0,Cmax;EC50;GI50;IC50;IC90;INH;Kd;Ki;Potency,True,20.0,15.0,46.3,review manually
SNCA,CHEMBL6152,CHEMBL3593906,,Ki,226.9,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,226.9,CHEMBL3593906,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1/C(=C\C=C\c2ccccc2)c2ccccc2N1Cc1ccccc1,True,337.42,5.33,20.31,0.0,1.0,4.0,1.0,5.0,True,0.0,2.644165504115064,56.2,,,,,False,10.0,0.0,46.2,review manually
IL17A,CHEMBL3390822,CHEMBL4850368,,IC50,3.0,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2021.0,3.0,CHEMBL4850368,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)F)c3nnc4cnc(C#N)cn34)ccc2[nH]1)C1CCC(F)(F)CC1,True,614.54,4.79,163.57,2.0,10.0,8.0,1.0,2.0,False,0.0,4.522878745280337,56.2,,,,,False,10.0,0.0,46.2,review manually
IL17A,CHEMBL3390822,CHEMBL4851738,,IC50,3.0,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2021.0,3.0,CHEMBL4851738,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)F)c3nnc4ccc(F)cn34)ccc2[nH]1)C1CCC(F)(F)CC1,True,606.53,5.66,126.89,2.0,8.0,8.0,2.0,2.0,False,0.0,4.522878745280337,56.2,,,,,False,10.0,0.0,46.2,review manually
IL17A,CHEMBL3390822,CHEMBL4860250,,IC50,14.3,nM,=,Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method,2021.0,14.3,CHEMBL4860250,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(C)c1nonc1C(=O)N[C@H](c1cn2ncc(CN3C[C@@H](C(F)(F)F)NC3=O)cc2n1)C1CCC(F)(F)CC1,True,570.52,3.99,130.55,2.0,8.0,7.0,1.0,3.0,False,0.0,3.844663962534938,55.8,,,,,False,10.0,0.0,45.8,review manually
MAPK1,CHEMBL4040,CHEMBL383104,,IC50,280.0,nM,=,Inhibitory activity against p42MAPK,2006.0,280.0,CHEMBL383104,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(N4CCCC4)cc3)c2C1,True,410.52,3.02,93.36,3.0,4.0,7.0,0.0,5.0,True,0.0,2.552841968657781,55.4,,,,,False,10.0,0.0,45.4,review manually
SNCA,CHEMBL6152,CHEMBL3593252,,Ki,290.2,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,290.2,CHEMBL3593252,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)c3ccccc32)cc1,True,340.43,4.97,23.55,0.0,2.0,3.0,0.0,5.0,True,0.0,2.5373025918982828,55.3,,,,,False,10.0,0.0,45.3,review manually
LRRK2,CHEMBL1075104,CHEMBL1241674,,Kd,290.0,nM,=,Binding constant for LRRK2 kinase domain,2011.0,290.0,CHEMBL1241674,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21,True,308.35,2.84,105.64,3.0,6.0,2.0,0.0,5.0,True,0.0,2.537602002101044,55.3,,,,,False,10.0,0.0,45.3,review manually
NTRK1,CHEMBL2815,CHEMBL365585,,IC50,4.0,nM,=,Inhibition of baculovirus expressed human trkA,2005.0,4.0,CHEMBL365585,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@]1(O)CO,True,455.51,4.09,99.51,4.0,5.0,2.0,0.0,2.0,False,0.0,4.3979400086720375,55.2,,,,,False,10.0,0.0,45.2,review manually
NTRK1,CHEMBL2815,CHEMBL370493,,IC50,4.0,nM,=,Inhibition of baculovirus expressed human trkA,2005.0,4.0,CHEMBL370493,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@]1(O)CO,True,455.51,4.09,99.51,4.0,5.0,2.0,0.0,2.0,False,0.0,4.3979400086720375,55.2,,,,,False,10.0,0.0,45.2,review manually
TLR2,CHEMBL3301399,CHEMBL5195703,,EC50,0.4,nM,=,Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay,2022.0,0.4,CHEMBL5195703,ok,,,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC.Cl,True,809.64,9.54,154.25,3.0,10.0,39.0,2.0,1.0,False,0.0,5.0,55.0,,,,,False,10.0,0.0,45.0,review manually
MAPK1,CHEMBL4040,CHEMBL388978,STAUROSPORINE,IC50,1.0,nM,<,Inhibition of Extracellular signal-regulated kinase 2 (Erk2),2002.0,1.0,STAUROSPORINE,ok,STAUROSPORINE,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,True,466.54,4.35,69.45,2.0,6.0,2.0,0.0,4.0,False,0.0,5.0,70.0,ok,356.0,1000.0,EC50;ED50;GI50;IC50;Kd;Ki;Potency,True,20.0,5.0,45.0,review manually
TLR2,CHEMBL3301399,CHEMBL5172445,,EC50,1.0,nM,=,Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay,2022.0,1.0,CHEMBL5172445,ok,,,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC.Cl,True,809.64,9.54,154.25,3.0,10.0,39.0,2.0,1.0,False,0.0,5.0,55.0,,,,,False,10.0,0.0,45.0,review manually
LRRK2,CHEMBL1075104,CHEMBL509032,TAE-684,Kd,0.86,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,0.86,TAE-684,ok,TAE-684,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1,True,614.22,5.02,102.93,2.0,10.0,9.0,2.0,1.0,False,0.0,5.0,55.0,,,,,False,10.0,0.0,45.0,review manually
TLR2,CHEMBL3301399,CHEMBL5206630,,EC50,0.8,nM,=,Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay,2022.0,0.8,CHEMBL5206630,ok,,,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC,True,815.21,9.29,157.33,3.0,10.0,40.0,2.0,1.0,False,0.0,5.0,55.0,,,,,False,10.0,0.0,45.0,review manually
SLC6A3,CHEMBL238,CHEMBL543925,,Kd,340.0,nM,=,Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT,1998.0,340.0,CHEMBL543925,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)C(C)(C)C.Cl,True,321.89,4.31,23.47,1.0,2.0,4.0,0.0,5.0,True,0.0,2.468521082957745,54.7,,,,,False,10.0,0.0,44.7,review manually
IL17A,CHEMBL3390822,CHEMBL4855085,,IC50,4.6,nM,=,Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method,2021.0,4.6,CHEMBL4855085,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,COC[C@H](c1cnn2cc([C@@H](NC(=O)c3nonc3C(F)(F)F)C3CCC(F)(F)CC3)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O,True,640.49,4.07,139.78,2.0,9.0,8.0,1.0,2.0,False,0.0,4.337242168318426,54.7,,,,,False,10.0,0.0,44.7,review manually
NTRK1,CHEMBL2815,CHEMBL209506,,IC50,84.0,nM,=,Inhibition of TrkA kinase,2006.0,84.0,CHEMBL209506,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccc(O)nc1,True,392.89,4.03,101.13,3.0,7.0,6.0,0.0,4.0,False,0.0,3.0757207139381184,54.6,,,,,False,10.0,0.0,44.6,review manually
SNCA,CHEMBL6152,CHEMBL3663941,,Ki,89.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,89.0,CHEMBL3663941,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Oc1ccc(-c2nsc(-c3ccc(O)c(O)c3)n2)cc1O,True,302.31,2.69,106.7,4.0,7.0,2.0,0.0,4.0,False,0.0,3.050609993355087,54.4,,,,,False,10.0,0.0,44.4,review manually
MAPK1,CHEMBL4040,CHEMBL332551,,IC50,89.0,nM,=,In vitro inhibitory concentration against human mitogen-activated protein kinase-1 (MEK-1) by using [gamma-33P]-ATP] as radioligand,2004.0,89.0,CHEMBL332551,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Nc1nc(C2=C3C(=Nc4ccccc43)C(=O)NCC2)c(O)[nH]1,True,295.3,1.21,116.39,4.0,5.0,1.0,0.0,4.0,False,0.0,3.050609993355087,54.4,,,,,False,10.0,0.0,44.4,review manually
IL17A,CHEMBL3390822,CHEMBL5081660,,IC50,1.259,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2022.0,1.259,CHEMBL5081660,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CNC(=O)[C@H](NC(=O)[C@@H](CC(F)(F)F)c1ccc2[nH]c([C@@H](NC(=O)c3nonc3C)C3CCC(F)(F)CC3)nc2c1F)C(C)C,True,645.61,4.61,154.9,4.0,7.0,10.0,1.0,1.0,False,0.0,4.899974269892137,54.2,,,,,False,10.0,0.0,44.2,review manually
GBA1,CHEMBL2179,CHEMBL3350086,,Ki,25.0,nM,=,Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method,2001.0,25.0,CHEMBL3350086,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O,True,162.19,-3.0,98.74,5.0,5.0,2.0,0.0,3.0,False,0.0,3.6020599913279625,53.8,,,,,False,10.0,0.0,43.8,review manually
IL17A,CHEMBL3390822,CHEMBL5077953,,IC50,1.585,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2022.0,1.585,CHEMBL5077953,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CCc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CCS(=O)(=O)CC)C(=O)N3CC(F)(F)C(F)(F)C3)ccc2[nH]1)C1CCC(F)(F)CC1,True,710.67,4.97,151.15,2.0,8.0,11.0,1.0,1.0,False,0.0,4.79997073344623,53.4,,,,,False,10.0,0.0,43.4,review manually
SNCA,CHEMBL6152,CHEMBL3663950,,Ki,135.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,135.0,CHEMBL3663950,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Oc1ccc(-c2nnc(-c3cc(O)c(O)cc3Br)s2)cc1O,True,381.21,3.46,106.7,4.0,7.0,2.0,0.0,4.0,False,0.0,2.869666231504994,53.0,,,,,False,10.0,0.0,43.0,review manually
SLC6A3,CHEMBL238,CHEMBL1790051,,Ki,33.0,nM,=,Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (high affinity),1996.0,33.0,CHEMBL1790051,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C.Cl,True,295.81,2.85,29.54,0.0,3.0,2.0,0.0,6.0,True,0.0,3.4814860601221125,67.9,ok,11.0,74.0,IC50;Ki,True,20.0,5.0,42.9,review manually
NTRK1,CHEMBL2815,CHEMBL388978,STAUROSPORINE,Kd,2.0,nM,=,Average Binding Constant for NTRK1; NA=Not Active at 10 uM,2005.0,2.0,STAUROSPORINE,ok,STAUROSPORINE,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,True,466.54,4.35,69.45,2.0,6.0,2.0,0.0,4.0,False,0.0,4.698970004336019,67.6,ok,356.0,1000.0,EC50;ED50;GI50;IC50;Kd;Ki;Potency,True,20.0,5.0,42.6,review manually
IL17A,CHEMBL3390822,CHEMBL4860574,,IC50,2.0,nM,=,Inhibition of IL-17A in human HDF cells assessed as IL-6 release incubated for 5 hrs by TR-FRET assay,2021.0,2.0,CHEMBL4860574,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,Cc1nonc1C(=O)N[C@H](c1nc2c(F)c([C@H](CC(F)F)c3cnnn3CC(F)(F)F)ccc2[nH]1)C1CCC(F)(F)CC1,True,620.5,5.63,127.41,2.0,8.0,9.0,2.0,1.0,False,0.0,4.698970004336019,52.6,,,,,False,10.0,0.0,42.6,review manually
LAMP2,CHEMBL5465542,CHEMBL3752910,,Kd,37.83,nM,=,Binding affinity to human LAMP2 incubated for 45 mins by Kinobead based pull down assay,2018.0,37.83,CHEMBL3752910,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C,True,503.49,5.75,97.62,2.0,7.0,5.0,2.0,3.0,False,0.0,3.422163658707256,52.4,,,,,False,10.0,0.0,42.4,review manually
NTRK1,CHEMBL2815,CHEMBL1276446,,IC50,9.0,nM,=,"Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)",2004.0,9.0,CHEMBL1276446,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,True,449.52,3.9,113.08,3.0,7.0,5.0,0.0,5.0,True,0.0,4.045757490560675,67.4,ok,15.0,31.0,AC50;EC50;IC50,True,20.0,5.0,42.4,review manually
NTRK1,CHEMBL2815,CHEMBL378736,,IC50,179.0,nM,=,Inhibition of TrkA kinase,2006.0,179.0,CHEMBL378736,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COc1ccc(Nc2snc(SCc3ccc(Cl)cc3)c2C(N)=O)cn1,True,406.92,4.33,90.13,2.0,7.0,7.0,0.0,4.0,False,0.0,2.7471469690201067,52.0,,,,,False,10.0,0.0,42.0,review manually
NTRK1,CHEMBL2815,CHEMBL281948,K-252A,IC50,2.4,nM,=,Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined,1997.0,2.4,K-252A,ok,K-252A,Small molecule,,,False,False,0.0,False,-1.0,0.0,COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,True,467.48,3.66,94.72,2.0,7.0,1.0,0.0,4.0,False,0.0,4.619788758288394,67.0,ok,77.0,94.0,IC50;Kd;Ki,True,20.0,5.0,42.0,review manually
SNCA,CHEMBL6152,CHEMBL3663942,,Ki,283.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,283.0,CHEMBL3663942,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,Oc1ccc(-c2ccc(-c3cc(O)c(O)c(O)c3)s2)cc1O,True,316.33,3.61,101.15,5.0,6.0,2.0,0.0,4.0,False,0.0,2.54821356447571,50.4,,,,,False,10.0,0.0,40.4,review manually
LRRK2,CHEMBL1075104,CHEMBL1721885,SU-014813,Kd,70.0,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,70.0,SU-014813,ok,SU-014813,Small molecule,2.0,,False,False,0.0,False,,0.0,Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1,True,442.49,1.69,106.69,4.0,5.0,6.0,0.0,4.0,False,2.0,3.154901959985743,65.2,ok,152.0,319.0,Kd,True,20.0,5.0,40.2,review manually
GLP1R,CHEMBL1784,CHEMBL441203,,EC50,0.194,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.194,CHEMBL441203,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3779.32,-9.8,1518.76,52.0,49.0,132.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL410575,,EC50,0.115,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.115,CHEMBL410575,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3935.5,-11.26,1612.26,55.0,51.0,138.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL428330,,EC50,0.116,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.116,CHEMBL428330,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)O)C(=O)O,True,3779.32,-9.8,1518.76,52.0,49.0,132.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL430245,,EC50,0.121,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.121,CHEMBL430245,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN=C(N)N)C(=O)NCC(=O)O)C(=O)O,True,3765.29,-10.19,1518.76,52.0,49.0,131.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL412234,,EC50,0.135,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.135,CHEMBL412234,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3965.49,-12.2,1649.56,56.0,52.0,139.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL410972,,IC50,0.14,nM,=,Inhibitory concentration against human GLP1 receptor expressed in CHO cell membrane homogenates with 1%DMSO,2004.0,0.14,CHEMBL410972,ok,,Protein,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C,True,3297.68,-14.0,1385.09,49.0,46.0,108.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL439099,,EC50,0.154,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.154,CHEMBL439099,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCC(CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3652.13,-11.01,1489.66,51.0,48.0,125.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL427768,,EC50,0.177,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.177,CHEMBL427768,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCC(CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CCCCC(CCCCC)C(=O)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3780.3,-8.5,1491.66,51.0,49.0,132.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL269779,,EC50,0.169,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.169,CHEMBL269779,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CCc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(=O)O,True,3624.03,-12.64,1492.74,51.0,48.0,122.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL439091,,EC50,0.21,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.21,CHEMBL439091,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCC(CCCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)O)C(=O)O,True,3708.24,-9.45,1489.66,51.0,48.0,129.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL439181,,EC50,0.213,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.213,CHEMBL439181,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3993.54,-11.42,1649.56,56.0,52.0,141.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL437277,,EC50,0.236,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.236,CHEMBL437277,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CCc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O,True,3494.92,-11.99,1426.34,49.0,46.0,117.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
TLR2,CHEMBL3301399,CHEMBL2179400,,EC50,0.3,nM,=,Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay,2022.0,0.3,CHEMBL2179400,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)OC(=O)CCCCCCCCCCCCCCC,True,1271.85,7.48,385.73,12.0,17.0,63.0,4.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL437467,,EC50,0.328,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.328,CHEMBL437467,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3893.42,-12.43,1612.26,55.0,51.0,136.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL411138,,EC50,0.41,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.41,CHEMBL411138,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)N1CCC(C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)CC1,True,3733.29,-9.69,1472.67,50.0,48.0,126.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL269494,,EC50,0.0844,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.0844,CHEMBL269494,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC,True,3707.25,-10.03,1481.46,51.0,48.0,129.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL424733,,EC50,0.687,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.687,CHEMBL424733,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CCc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3736.25,-9.52,1492.74,51.0,48.0,130.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL441931,,EC50,0.113,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.113,CHEMBL441931,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC,True,3693.23,-10.42,1481.46,51.0,48.0,128.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL428139,,EC50,0.055,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.055,CHEMBL428139,ok,,Protein,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C,True,3355.72,-14.49,1410.9,49.0,47.0,110.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL427943,,EC50,0.072,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.072,CHEMBL427943,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCC(CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3638.1,-11.4,1489.66,51.0,48.0,124.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL429398,,EC50,0.0301,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.0301,CHEMBL429398,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3779.32,-10.79,1540.07,53.0,49.0,131.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL412115,,EC50,0.00419,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.00419,CHEMBL412115,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCC(CCCCC(=O)NCCCCC(NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)OC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3766.24,-13.94,1572.16,53.0,51.0,127.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL439481,,EC50,0.0056,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.0056,CHEMBL439481,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCC(CCCCC(=O)NCCCCC(NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3808.32,-12.47,1583.16,54.0,50.0,131.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL428152,,EC50,0.00789,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.00789,CHEMBL428152,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCC(CCCCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)O)C(=O)O,True,3652.13,-11.01,1489.66,51.0,48.0,125.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL4524066,,EC50,0.061,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.061,CHEMBL4524066,ok,,Protein,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3753.28,-10.79,1521.92,53.0,50.0,131.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL409270,,EC50,0.0272,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.0272,CHEMBL409270,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3979.51,-11.81,1649.56,56.0,52.0,139.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL412948,,EC50,0.0273,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.0273,CHEMBL412948,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3695.15,-12.14,1518.76,52.0,49.0,126.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL411170,,EC50,0.022,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.022,CHEMBL411170,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3723.21,-11.36,1518.76,52.0,49.0,128.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL414971,,EC50,0.0352,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.0352,CHEMBL414971,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3820.37,-10.52,1562.93,53.0,49.0,133.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL261911,,EC50,0.0363,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.0363,CHEMBL261911,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3778.34,-11.39,1545.86,53.0,49.0,131.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL412541,,EC50,0.0364,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.0364,CHEMBL412541,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)O)C(=O)O,True,3751.26,-10.58,1518.76,52.0,49.0,130.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL269543,,EC50,0.053,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.053,CHEMBL269543,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3907.45,-12.04,1612.26,55.0,51.0,136.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
GLP1R,CHEMBL1784,CHEMBL409983,,EC50,0.054,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,0.054,CHEMBL409983,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCCC(NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)O)C(=O)O,True,3879.4,-12.82,1612.26,55.0,51.0,134.0,3.0,0.0,False,0.0,5.0,50.0,,,,,False,10.0,0.0,40.0,review manually
SNCA,CHEMBL6152,CHEMBL328710,,Ki,84.4,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,84.4,CHEMBL328710,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1ccc(/C=C2\C(=O)Nc3ccccc32)cc1,True,264.33,3.25,32.34,1.0,2.0,2.0,0.0,6.0,True,0.0,3.073657553374345,64.6,ok,13.0,16.0,IC50;Ki;Potency,True,20.0,5.0,39.6,review manually
TLR2,CHEMBL3301399,CHEMBL5178934,,EC50,5.0,nM,=,Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay,2022.0,5.0,CHEMBL5178934,ok,,,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC,True,815.21,9.29,157.33,3.0,10.0,40.0,2.0,1.0,False,0.0,4.301029995663981,49.4,,,,,False,10.0,0.0,39.4,review manually
GLP1R,CHEMBL1784,CHEMBL266046,,EC50,1.26,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,1.26,CHEMBL266046,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)O,True,3836.37,-11.55,1583.16,54.0,50.0,134.0,3.0,0.0,False,0.0,4.8996294548824375,49.2,,,,,False,10.0,0.0,39.2,review manually
IL17A,CHEMBL3390822,CHEMBL4228522,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4228522,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(S(N)(=O)=O)c2)cc1,True,510.68,3.55,116.0,1.0,6.0,10.0,1.0,3.0,False,0.0,3.0,49.0,,,,,False,10.0,0.0,39.0,review manually
GBA1,CHEMBL2179,CHEMBL3350089,,Ki,100.0,nM,=,Tested for inhibitory activity against Beta-glucosidase from Agrobacterium species,2001.0,100.0,CHEMBL3350089,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=S(=O)(NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12,True,352.41,-0.83,118.89,5.0,6.0,5.0,0.0,3.0,False,0.0,3.0,49.0,,,,,False,10.0,0.0,39.0,review manually
IL17A,CHEMBL3390822,CHEMBL4224870,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4224870,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S+](C)[O-])c2)cc1,True,493.69,4.64,78.9,0.0,5.0,10.0,0.0,3.0,False,0.0,3.0,49.0,,,,,False,10.0,0.0,39.0,review manually
IL17A,CHEMBL3390822,CHEMBL5815811,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL5815811,ok,,,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S@@+](C)[O-])c2)cc1,True,493.69,4.64,78.9,0.0,5.0,10.0,0.0,3.0,False,0.0,3.0,49.0,,,,,False,10.0,0.0,39.0,review manually
IL17A,CHEMBL3390822,CHEMBL5810958,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL5810958,ok,,,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(SCC3CCOCC3)c(CO)c2)cc1,True,477.69,5.11,66.84,1.0,5.0,10.0,1.0,3.0,False,0.0,3.0,49.0,,,,,False,10.0,0.0,39.0,review manually
GBA1,CHEMBL2179,CHEMBL3350087,,Ki,100.0,nM,=,Tested for inhibitory activity against Beta-glucosidase from Agrobacterium species,2001.0,100.0,CHEMBL3350087,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O,True,344.5,1.08,101.82,5.0,5.0,13.0,0.0,3.0,False,0.0,3.0,49.0,,,,,False,10.0,0.0,39.0,review manually
IL17A,CHEMBL3390822,CHEMBL4228069,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4228069,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(S(C)(=O)=O)c2)cc1,True,509.69,4.31,89.98,0.0,6.0,10.0,1.0,3.0,False,0.0,3.0,49.0,,,,,False,10.0,0.0,39.0,review manually
GBA1,CHEMBL2179,CHEMBL1818432,,Ki,110.0,nM,=,Inhibitory activity against beta-glucosidase of sweet almond,1999.0,110.0,CHEMBL1818432,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,OC[C@@H]1CNC[C@@H](O)[C@@H]1O,True,147.17,-2.08,72.72,4.0,4.0,1.0,0.0,3.0,False,0.0,2.958607314841775,48.7,,,,,False,10.0,0.0,38.7,review manually
LRRK2,CHEMBL1075104,CHEMBL475251,R-406,Kd,27.0,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,27.0,R-406,ok,R-406,Small molecule,2.0,,False,False,0.0,False,,0.0,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,True,470.46,3.63,128.75,3.0,10.0,7.0,0.0,3.0,False,2.0,3.5686362358410126,63.5,ok,224.0,400.0,AC50;EC50;IC50;Kd;Ki;Potency,True,20.0,5.0,38.5,review manually
IL17A,CHEMBL3390822,CHEMBL4874078,,IC50,7.0,nM,=,Inhibition of IL-17A in human HT-29 cells assessed as neutralization measured after 48 hrs by ELISA method,2021.0,7.0,CHEMBL4874078,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,COC[C@H](c1cnn2cc([C@@H](NC(=O)c3conc3C3CC3)C3CCC(F)(F)CC3)nc2c1)N1C[C@@H](C(F)(F)F)NC1=O,True,611.57,4.53,126.89,2.0,8.0,9.0,1.0,1.0,False,0.0,4.154901959985743,48.2,,,,,False,10.0,0.0,38.2,review manually
IL17A,CHEMBL3390822,CHEMBL5194116,,Kd,32.0,nM,=,Binding affinity to human IL-17A assessed as thermal stability by measuring increase in unfolding temperature by differential scanning fluorimetry,2022.0,32.0,CHEMBL5194116,ok,,,,,False,False,0.0,False,-1.0,0.0,Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)cc1,True,474.61,4.64,104.7,3.0,5.0,9.0,0.0,2.0,False,0.0,3.4948500216800937,48.0,,,,,False,10.0,0.0,38.0,review manually
NDUFS3,CHEMBL6067008,CHEMBL5653589,,Kd,2.003,nM,=,Binding affinity to human NDUFS3 incubated for 45 mins by Kinobead based pull down assay,2018.0,2.003,CHEMBL5653589,ok,,,,,False,False,0.0,False,-1.0,0.0,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12,True,503.49,5.75,97.62,2.0,7.0,5.0,2.0,3.0,False,0.0,4.698319050706424,62.6,ok,492.0,1000.0,ED50;IC50;Kd,True,20.0,5.0,37.6,review manually
GBA1,CHEMBL2179,CHEMBL3350088,,Ki,150.0,nM,=,Tested for inhibitory activity against Beta-glucosidase from Agrobacterium species,2001.0,150.0,CHEMBL3350088,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C(CCc1ccccc1)NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O,True,294.35,-1.21,101.82,5.0,5.0,6.0,0.0,3.0,False,0.0,2.8239087409443187,47.6,,,,,False,10.0,0.0,37.6,review manually
GBA1,CHEMBL2179,CHEMBL3349997,,Ki,2.1,nM,=,Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method,2001.0,2.1,CHEMBL3349997,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NC[C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)cccc12,True,508.64,-0.08,151.23,6.0,8.0,12.0,2.0,0.0,False,0.0,4.6777807052660805,47.4,,,,,False,10.0,0.0,37.4,review manually
IL17A,CHEMBL3390822,CHEMBL5177049,,Kd,170.0,nM,=,Binding affinity at His tagged human IL-17A expressed in Escherichia coli BL21-(DE3) assessed as dissociation constant incubated for 30 mins by MST analysis,2022.0,170.0,CHEMBL5177049,ok,,,,,False,False,0.0,False,-1.0,0.0,C=CCNC(=O)C(Cc1ccccc1)NC(=O)C(c1cc(Br)ccc1OC)N1CCOCCOCCNC(=O)CC(C)(C)CC1=O,True,701.66,3.33,135.3,3.0,7.0,10.0,1.0,3.0,False,0.0,2.769551078621726,47.2,,,,,False,10.0,0.0,37.2,review manually
GLP1R,CHEMBL1784,CHEMBL438212,,EC50,2.36,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,2.36,CHEMBL438212,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CCc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(=O)O,True,3736.25,-9.52,1492.74,51.0,48.0,130.0,3.0,0.0,False,0.0,4.627087997029894,47.0,,,,,False,10.0,0.0,37.0,review manually
LRRK2,CHEMBL1075104,CHEMBL1908395,,Kd,190.0,nM,=,Binding constant for LRRK2 kinase domain,2011.0,190.0,CHEMBL1908395,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1.Cl,True,497.04,4.18,105.12,2.0,5.0,6.0,0.0,3.0,False,0.0,2.721246399047171,46.8,,,,,False,10.0,0.0,36.8,review manually
NTRK1,CHEMBL2815,CHEMBL124660,TANDUTINIB,Kd,200.0,nM,=,Average Binding Constant for NTRK1; NA=Not Active at 10 uM,2005.0,200.0,TANDUTINIB,ok,TANDUTINIB,Small molecule,2.0,,False,False,0.0,False,,0.0,COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,True,562.72,5.03,92.29,1.0,8.0,10.0,2.0,1.0,False,2.0,2.6989700043360187,46.6,,,,,False,10.0,0.0,36.6,review manually
GBA1,CHEMBL2179,CHEMBL86865,,IC50,200.0,nM,=,Inhibitory activity was determined against Escherichia coli beta galactosidase,1994.0,200.0,CHEMBL86865,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,OC1C(O)C2N=C(Nc3ccccc3)OC2C1O,True,250.25,-0.68,94.31,4.0,6.0,1.0,0.0,3.0,False,0.0,2.6989700043360187,46.6,,,,,False,10.0,0.0,36.6,review manually
GBA1,CHEMBL2179,CHEMBL469844,,Ki,200.0,nM,=,Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method,2001.0,200.0,CHEMBL469844,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O,True,163.17,-2.97,92.95,5.0,5.0,2.0,0.0,3.0,False,0.0,2.6989700043360187,46.6,,,,,False,10.0,0.0,36.6,review manually
IL17A,CHEMBL3390822,CHEMBL5288854,,IC50,221.0,nM,=,Inhibition of human IL-17 by whole blood assay,2021.0,221.0,CHEMBL5288854,ok,,,,,False,False,0.0,False,-1.0,0.0,CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3c(c2)CN(C[C@H]2CC[C@H](C(F)(F)F)CC2)[C@H]3C(C)C)nc1,True,552.66,5.33,92.26,1.0,6.0,8.0,2.0,3.0,False,0.0,2.6556077263148894,46.2,,,,,False,10.0,0.0,36.2,review manually
GLP1R,CHEMBL1784,CHEMBL409300,,EC50,3.05,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,3.05,CHEMBL409300,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CCC(NC(=O)CCCCCCCCCCCCC)C(=O)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,4034.67,-6.08,1549.86,53.0,51.0,146.0,3.0,0.0,False,0.0,4.515700160653214,46.1,,,,,False,10.0,0.0,36.1,review manually
NTRK1,CHEMBL2815,CHEMBL288229,,IC50,61.0,nM,=,Inhibition of NGF high affinity receptor tyrosine kinase TrkA,2002.0,61.0,CHEMBL288229,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCSCc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2[C@@]1(C)O[C@@H]5C[C@]1(O)C(=O)OC)C(=O)NC3,True,541.63,4.91,94.72,2.0,8.0,4.0,1.0,2.0,False,0.0,3.214670164989233,45.7,,,,,False,10.0,0.0,35.7,review manually
NTRK1,CHEMBL2815,CHEMBL291985,,IC50,270.0,nM,=,Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined,1997.0,270.0,CHEMBL291985,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COCc1ccc2c(c1)c1c3c(c4c5cc(COC)ccc5n5c4c1n2C1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,True,555.59,3.95,113.18,2.0,9.0,5.0,1.0,3.0,False,0.0,2.5686362358410126,45.5,,,,,False,10.0,0.0,35.5,review manually
NTRK1,CHEMBL2815,CHEMBL288817,,IC50,270.0,nM,=,Inhibition of NGF high affinity receptor tyrosine kinase TrkA,2002.0,270.0,CHEMBL288817,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,COCc1ccc2c(c1)c1c3c(c4c5cc(COC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,True,555.59,3.95,113.18,2.0,9.0,5.0,1.0,3.0,False,0.0,2.5686362358410126,45.5,,,,,False,10.0,0.0,35.5,review manually
IL17A,CHEMBL3390822,CHEMBL5075374,,IC50,100.0,nM,<,Inhibition of IL-17A (unknown origin) by ELISA II,2021.0,100.0,CHEMBL5075374,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,O=C(CC1(CC(=O)N2CCCC2)CCCC1)NCCc1ccc(NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(F)(F)c2ccccc2)cc1,True,693.24,6.42,107.61,3.0,4.0,14.0,2.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL4225889,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4225889,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3(F)CCOCC3)c(S(C)(=N)=O)c2)cc1,True,525.71,5.07,99.56,2.0,6.0,10.0,2.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL5775039,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL5775039,ok,,,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCc3ccncc3)c(S(C)(=N)=O)c2)cc1,True,500.69,5.14,103.22,2.0,6.0,10.0,2.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL6018803,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL6018803,ok,,,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CC(O)C3)c(S(C)(=N)=O)c2)cc1,True,493.7,4.32,110.56,3.0,6.0,10.0,0.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL4228566,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4228566,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N(C)CC3CCOCC3)c(S(C)(=N)=O)c2)cc1,True,521.75,5.0,90.77,1.0,6.0,10.0,1.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL4225072,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4225072,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3(C)CCOCC3)c(S(C)(=N)=O)c2)cc1,True,521.75,5.36,99.56,2.0,6.0,10.0,2.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL4227729,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4227729,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(NCC3CCOCC3)c(S(C)(=N)=O)c2)cc1,True,507.72,4.97,99.56,2.0,6.0,10.0,1.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL4226803,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4226803,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S@@](C)(=N)=O)c2)cc1,True,508.71,4.94,96.76,1.0,6.0,10.0,1.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL4226421,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4226421,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c([S@](C)(=N)=O)c2)cc1,True,508.71,4.94,96.76,1.0,6.0,10.0,1.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL5803060,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL5803060,ok,,,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3(F)CCOCC3)c(S(C)(=N)=O)c2)cc1,True,526.7,5.03,96.76,1.0,6.0,10.0,2.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL4225020,,IC50,100.0,nM,<,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,100.0,CHEMBL4225020,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(S(=N)(=O)CC)c2)cc1,True,522.73,5.33,96.76,1.0,6.0,11.0,2.0,2.0,False,0.0,3.0,44.0,,,,,False,10.0,0.0,34.0,review manually
IL17A,CHEMBL3390822,CHEMBL4869568,,Kd,6.2,nM,=,Binding affinity to biotinylated human IL-17A by SPR analysis,2021.0,6.2,CHEMBL4869568,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(C)C,True,1863.15,-1.52,689.21,23.0,22.0,55.0,3.0,0.0,False,0.0,4.207608310501746,43.7,,,,,False,10.0,0.0,33.7,review manually
GLP1R,CHEMBL1784,CHEMBL440075,,EC50,7.0,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,7.0,CHEMBL440075,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCC(CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CCCCC(CCCCCCCCC)C(=O)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,True,3892.51,-5.38,1491.66,51.0,49.0,140.0,3.0,0.0,False,0.0,4.154901959985743,43.2,,,,,False,10.0,0.0,33.2,review manually
NTRK1,CHEMBL2815,CHEMBL277817,,IC50,210.0,nM,=,Inhibition of NGF high affinity receptor tyrosine kinase TrkA,2002.0,210.0,CHEMBL277817,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCOCc1ccc2c(c1)c1c3c(c4c5cc(COCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,True,583.64,4.73,113.18,2.0,9.0,7.0,1.0,2.0,False,0.0,2.677780705266081,41.4,,,,,False,10.0,0.0,31.4,review manually
NTRK1,CHEMBL2815,CHEMBL53885,,IC50,210.0,nM,=,Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined,1997.0,210.0,CHEMBL53885,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCOCc1ccc2c(c1)c1c3c(c4c5cc(COCC)ccc5n5c4c1n2C1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,True,583.64,4.73,113.18,2.0,9.0,7.0,1.0,2.0,False,0.0,2.677780705266081,41.4,,,,,False,10.0,0.0,31.4,review manually
IL17A,CHEMBL3390822,CHEMBL4858175,,Kd,12.3,nM,=,Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometry,2021.0,12.3,CHEMBL4858175,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C,True,1520.84,-0.61,501.72,19.0,20.0,43.0,3.0,0.0,False,0.0,3.910094888560602,41.3,,,,,False,10.0,0.0,31.3,review manually
IL17A,CHEMBL3390822,CHEMBL4878993,,Kd,12.9,nM,=,Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometry,2021.0,12.9,CHEMBL4878993,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C,True,1534.87,-0.22,501.72,19.0,20.0,43.0,3.0,0.0,False,0.0,3.889410289700751,41.1,,,,,False,10.0,0.0,31.1,review manually
GLP1R,CHEMBL1784,CHEMBL2371793,,EC50,15.0,nM,=,Effective concentration against human GLP1 receptor expressed in CHO cells,2004.0,15.0,CHEMBL2371793,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O)C(C)C,True,3722.14,-15.97,1530.73,51.0,53.0,126.0,3.0,0.0,False,0.0,3.823908740944319,40.6,,,,,False,10.0,0.0,30.6,review manually
GLP1R,CHEMBL1784,CHEMBL441580,,EC50,16.7,nM,=,Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamster Kidney (BHK)cells,2000.0,16.7,CHEMBL441580,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)C(CCC(=O)O)NC(=O)CCCCCCCCCCCCCCC)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC,True,4090.78,-4.52,1549.86,53.0,51.0,150.0,3.0,0.0,False,0.0,3.7772835288524167,40.2,,,,,False,10.0,0.0,30.2,review manually
TLR2,CHEMBL3301399,CHEMBL2179399,,EC50,19.3,nM,=,Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay,2022.0,19.3,CHEMBL2179399,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O,True,1510.26,13.12,388.81,12.0,17.0,78.0,4.0,0.0,False,0.0,3.714442690992226,39.7,,,,,False,10.0,0.0,29.7,deprioritise
GLP1R,CHEMBL1784,CHEMBL2371792,,EC50,24.0,nM,=,Effective concentration against human GLP1 receptor expressed in CHO cells,2004.0,24.0,CHEMBL2371792,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(N)=O)C(C)C,True,3722.14,-15.97,1530.73,51.0,53.0,126.0,3.0,0.0,False,0.0,3.619788758288394,39.0,,,,,False,10.0,0.0,29.0,deprioritise
IL17A,CHEMBL3390822,CHEMBL3785600,,IC50,100.0,nM,<,Inhibition of IL-17A (unknown origin) by ELISA II,2021.0,100.0,CHEMBL3785600,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,O=C1CNC(=O)[C@@H](Cc2ccc(NC(=O)[C@H](Cc3ccccc3Cl)NC(=O)Cc3ccccc3)cc2)NC(=O)CC2(CCCC2)CC(=O)NCCCCCN1,True,771.36,4.15,174.6,6.0,6.0,9.0,2.0,1.0,False,0.0,3.0,39.0,,,,,False,10.0,0.0,29.0,deprioritise
GLP1R,CHEMBL1784,CHEMBL439104,,EC50,28.0,nM,=,Effective concentration against human GLP1 receptor expressed in CHO cells,2004.0,28.0,CHEMBL439104,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C,True,3635.06,-14.45,1481.4,49.0,51.0,123.0,3.0,0.0,False,0.0,3.552841968657781,38.4,,,,,False,10.0,0.0,28.4,deprioritise
IL17A,CHEMBL3390822,CHEMBL5079201,,Kd,30.0,nM,=,Binding affinity to IL-17A (unknown origin) measured by SPR assay,2021.0,30.0,CHEMBL5079201,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O)C(C)C,True,1738.97,-2.7,616.85,22.0,22.0,46.0,3.0,0.0,False,0.0,3.5228787452803374,38.2,,,,,False,10.0,0.0,28.2,deprioritise
TLR2,CHEMBL3301399,CHEMBL5192180,,EC50,133.7,nM,=,Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay,2022.0,133.7,CHEMBL5192180,ok,,,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC.Cl,True,809.64,9.54,154.25,3.0,10.0,39.0,2.0,1.0,False,0.0,2.873868592738016,38.0,,,,,False,10.0,0.0,28.0,deprioritise
GLP1R,CHEMBL1784,CHEMBL409873,,EC50,37.0,nM,=,Effective concentration against human GLP1 receptor expressed in CHO cells,2004.0,37.0,CHEMBL409873,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C,True,3594.0,-14.72,1458.54,49.0,51.0,121.0,3.0,0.0,False,0.0,3.431798275933005,37.5,,,,,False,10.0,0.0,27.5,deprioritise
GLP1R,CHEMBL1784,CHEMBL412288,,EC50,49.0,nM,=,Effective concentration against human GLP1 receptor expressed in CHO cells,2004.0,49.0,CHEMBL412288,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C,True,3579.93,-15.98,1475.61,49.0,51.0,119.0,3.0,0.0,False,0.0,3.309803919971486,36.5,,,,,False,10.0,0.0,26.5,deprioritise
TLR2,CHEMBL3301399,CHEMBL5203798,,EC50,251.8,nM,=,Agonist activity at human TLR2/TLR6 expressed in HEK-Blue hTLR2-TLR6 cells by SEAP reporter gene based Quanti-blue assay,2022.0,251.8,CHEMBL5203798,ok,,,,,False,False,0.0,False,-1.0,0.0,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)OC)OC(=O)CCCCCCCCCCCCCCC,True,815.21,9.29,157.33,3.0,10.0,40.0,2.0,1.0,False,0.0,2.598944274228156,35.8,,,,,False,10.0,0.0,25.8,deprioritise
IL17A,CHEMBL3390822,CHEMBL5069442,,Kd,73.0,nM,=,Binding affinity to IL-17A (unknown origin) measured by SPR assay,2021.0,73.0,CHEMBL5069442,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O,True,1935.29,-1.39,692.15,27.0,25.0,58.0,3.0,0.0,False,0.0,3.136677139879544,35.1,,,,,False,10.0,0.0,25.1,deprioritise
GLP1R,CHEMBL1784,CHEMBL410973,,EC50,72.0,nM,=,Effective concentration against human GLP1 receptor expressed in CHO cells,2004.0,72.0,CHEMBL410973,ok,,Small molecule,,,False,False,0.0,False,-1.0,0.0,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C,True,3593.96,-15.59,1475.61,49.0,51.0,120.0,3.0,0.0,False,0.0,3.1426675035687315,35.1,,,,,False,10.0,0.0,25.1,deprioritise
IL17A,CHEMBL3390822,CHEMBL4854787,,Kd,89.0,nM,=,Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometry,2021.0,89.0,CHEMBL4854787,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)O,True,1462.8,-0.45,464.42,18.0,19.0,40.0,3.0,0.0,False,0.0,3.050609993355087,34.4,,,,,False,10.0,0.0,24.4,deprioritise
IL17A,CHEMBL3390822,CHEMBL4872876,,Kd,110.0,nM,=,Binding affinity to human IL-17A assessed as dissociation constant in PBS-T measured after 60 mins by Biolayer interferometry,2021.0,110.0,CHEMBL4872876,ok,,Unknown,,,False,False,0.0,False,-1.0,0.0,CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)O,True,1478.76,-1.63,501.72,19.0,20.0,41.0,3.0,0.0,False,0.0,2.958607314841775,33.7,,,,,False,10.0,0.0,23.7,deprioritise
SLC6A3,CHEMBL238,CHEMBL178011,"tri carbonyl methyl (3S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate chromiumIII",Ki,17.0,nM,=,Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (high affinity),1996.0,17.0,"tri carbonyl methyl (3S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate chromiumIII",ok,"tri carbonyl methyl (3S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate chromiumIII",Small molecule,,,False,False,0.0,False,-1.0,0.0,,False,,,,,,,,,False,0.0,3.769551078621726,30.2,,,,,False,10.0,0.0,20.2,deprioritise
SNCA,CHEMBL6152,CHEMBL201986,,Ki,347.2,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,347.2,CHEMBL201986,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.459420283495546,19.7,,,,,False,10.0,0.0,9.7,deprioritise
SLC6A3,CHEMBL238,CHEMBL120901,,IC50,350.0,nM,=,Inhibitory concentration against [3H]dopamine uptake,1993.0,350.0,CHEMBL120901,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.4559319556497243,19.6,,,,,False,10.0,0.0,9.6,deprioritise
SNCA,CHEMBL6152,CHEMBL3593899,,Ki,350.2,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,350.2,CHEMBL3593899,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.4556838582525726,19.6,,,,,False,10.0,0.0,9.6,deprioritise
SNCA,CHEMBL6152,CHEMBL3663946,,Ki,370.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,370.0,CHEMBL3663946,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.431798275933005,19.5,,,,,False,10.0,0.0,9.5,deprioritise
SLC6A3,CHEMBL238,CHEMBL623,NEFAZODONE,Kd,360.0,nM,=,Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT,1998.0,360.0,NEFAZODONE,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.4436974992327127,19.5,,,,,False,10.0,0.0,9.5,deprioritise
MAPK1,CHEMBL4040,CHEMBL380946,,IC50,380.0,nM,=,Inhibitory activity against p42MAPK,2006.0,380.0,CHEMBL380946,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.42021640338319,19.4,,,,,False,10.0,0.0,9.4,deprioritise
SLC6A3,CHEMBL238,CHEMBL28376,,IC50,377.0,nM,=,Inhibitory concentration against [3H]dopamine uptake,1993.0,377.0,CHEMBL28376,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.423658649794207,19.4,,,,,False,10.0,0.0,9.4,deprioritise
GLP1R,CHEMBL1784,CHEMBL250310,,IC50,404.0,nM,=,Effect on augmentation of [125]GLP1 binding to human GLP1,2007.0,404.0,CHEMBL250310,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.393618634889395,19.1,,,,,False,10.0,0.0,9.1,deprioritise
SNCA,CHEMBL6152,CHEMBL3593894,,Ki,407.1,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,407.1,CHEMBL3593894,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.3902988976206005,19.1,,,,,False,10.0,0.0,9.1,deprioritise
GLP1R,CHEMBL1784,CHEMBL250112,,EC50,433.0,nM,=,Agonist activity at human GLP1 assessed as stimulation of cAMP,2007.0,433.0,CHEMBL250112,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.3635121036466344,18.9,,,,,False,10.0,0.0,8.9,deprioritise
GLP1R,CHEMBL1784,CHEMBL251128,,IC50,460.0,nM,=,Effect on augmentation of [125]GLP1 binding to human GLP1,2007.0,460.0,CHEMBL251128,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.337242168318426,18.7,,,,,False,10.0,0.0,8.7,deprioritise
SNCA,CHEMBL6152,CHEMBL3663951,,Ki,466.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,466.0,CHEMBL3663951,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.33161408331,18.7,,,,,False,10.0,0.0,8.7,deprioritise
SLC6A3,CHEMBL238,CHEMBL120633,,IC50,470.0,nM,=,Antagonism of cocaine''s inhibition of [3H]DA uptake at the dose of 50 nM,2000.0,470.0,CHEMBL120633,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.3279021420642825,18.6,,,,,False,10.0,0.0,8.6,deprioritise
SLC6A3,CHEMBL238,CHEMBL490,PAROXETINE,Kd,490.0,nM,=,Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT,1998.0,490.0,PAROXETINE,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.309803919971486,18.5,,,,,False,10.0,0.0,8.5,deprioritise
SNCA,CHEMBL6152,CHEMBL3593920,,Ki,482.9,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,482.9,CHEMBL3593920,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.3161427945996538,18.5,,,,,False,10.0,0.0,8.5,deprioritise
GBA1,CHEMBL2179,CHEMBL27943,,Ki,500.0,nM,=,Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method,2001.0,500.0,CHEMBL27943,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.3010299956639813,18.4,,,,,False,10.0,0.0,8.4,deprioritise
SNCA,CHEMBL6152,CHEMBL86921,,Ki,507.6,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,507.6,CHEMBL86921,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2944783865773326,18.4,,,,,False,10.0,0.0,8.4,deprioritise
SNCA,CHEMBL6152,CHEMBL3663949,,Ki,506.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,506.0,CHEMBL3663949,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2958494831602008,18.4,,,,,False,10.0,0.0,8.4,deprioritise
GLP1R,CHEMBL1784,CHEMBL250928,,IC50,530.0,nM,=,Effect on augmentation of [125]GLP1 binding to human GLP1,2007.0,530.0,CHEMBL250928,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.275724130399211,18.2,,,,,False,10.0,0.0,8.2,deprioritise
IL17A,CHEMBL3390822,CHEMBL5834488,,IC50,550.0,nM,=,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,550.0,CHEMBL5834488,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2596373105057563,18.1,,,,,False,10.0,0.0,8.1,deprioritise
GBA1,CHEMBL2179,CHEMBL3350093,,Ki,550.0,nM,=,Tested for inhibitory activity against Beta-glucosidase from Agrobacterium species,2001.0,550.0,CHEMBL3350093,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2596373105057563,18.1,,,,,False,10.0,0.0,8.1,deprioritise
MAPK1,CHEMBL4040,CHEMBL440356,,IC50,539.0,nM,=,Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1,2002.0,539.0,CHEMBL440356,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.268411234813261,18.1,,,,,False,10.0,0.0,8.1,deprioritise
IL17A,CHEMBL3390822,CHEMBL4227543,,IC50,550.0,nM,=,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,550.0,CHEMBL4227543,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2596373105057563,18.1,,,,,False,10.0,0.0,8.1,deprioritise
IL17A,CHEMBL3390822,CHEMBL5963911,,IC50,550.0,nM,=,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,550.0,CHEMBL5963911,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2596373105057563,18.1,,,,,False,10.0,0.0,8.1,deprioritise
LRRK2,CHEMBL1075104,CHEMBL221959,TOFACITINIB,Kd,550.0,nM,=,Binding constant for LRRK2(G2019S) kinase domain,2011.0,550.0,TOFACITINIB,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2596373105057563,18.1,,,,,False,10.0,0.0,8.1,deprioritise
IL17A,CHEMBL3390822,CHEMBL5748817,,IC50,550.0,nM,=,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,550.0,CHEMBL5748817,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2596373105057563,18.1,,,,,False,10.0,0.0,8.1,deprioritise
IL17A,CHEMBL3390822,CHEMBL5763149,,IC50,550.0,nM,=,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,550.0,CHEMBL5763149,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2596373105057563,18.1,,,,,False,10.0,0.0,8.1,deprioritise
IL17A,CHEMBL3390822,CHEMBL5850355,,IC50,550.0,nM,=,"I L-17A Secretion: This model allows measurement of the effect of inhibitors on IL-17A secretion by CD4+ cells. The cells are frozen CD4+ cells (STEMCELL, #70026), isolated from peripheral human blood and activated with anti-CD3 and anti-CD28 antibod",2019.0,550.0,CHEMBL5850355,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2596373105057563,18.1,,,,,False,10.0,0.0,8.1,deprioritise
MAPK1,CHEMBL4040,CHEMBL199395,,IC50,560.0,nM,=,Inhibitory activity against human ERK2,2006.0,560.0,CHEMBL199395,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2518119729938,18.0,,,,,False,10.0,0.0,8.0,deprioritise
NTRK1,CHEMBL2815,CHEMBL384214,,IC50,610.0,nM,=,Inhibition of TrkA kinase,2006.0,610.0,CHEMBL384214,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.214670164989233,17.7,,,,,False,10.0,0.0,7.7,deprioritise
SNCA,CHEMBL6152,CHEMBL3593919,,Ki,621.8,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,621.8,CHEMBL3593919,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.2063492822928272,17.7,,,,,False,10.0,0.0,7.7,deprioritise
SNCA,CHEMBL6152,CHEMBL3663954,,Ki,659.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,659.0,CHEMBL3663954,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.1811145854059903,17.4,,,,,False,10.0,0.0,7.4,deprioritise
IL17A,CHEMBL3390822,CHEMBL5077648,,Kd,660.0,nM,<,Binding affinity to IL-17A (unknown origin) measured by SPR assay,2021.0,660.0,CHEMBL5077648,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.1804560644581312,17.4,,,,,False,10.0,0.0,7.4,deprioritise
GLP1R,CHEMBL1784,CHEMBL399369,,EC50,661.0,nM,=,Agonist activity at human GLP1 assessed as stimulation of cAMP,2007.0,661.0,CHEMBL399369,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.17979854051436,17.4,,,,,False,10.0,0.0,7.4,deprioritise
SNCA,CHEMBL6152,CHEMBL3663938,,Ki,697.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,697.0,CHEMBL3663938,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.1567672219019904,17.3,,,,,False,10.0,0.0,7.3,deprioritise
SNCA,CHEMBL6152,CHEMBL3663952,,Ki,697.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,697.0,CHEMBL3663952,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.1567672219019904,17.3,,,,,False,10.0,0.0,7.3,deprioritise
GBA1,CHEMBL2179,CHEMBL429079,,IC50,700.0,nM,=,Inhibition of glucocerebrosidase,2007.0,700.0,CHEMBL429079,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.154901959985743,17.2,,,,,False,10.0,0.0,7.2,deprioritise
SLC6A3,CHEMBL238,CHEMBL347772,,Ki,742.0,nM,=,Affinity to displace binding of [3H]WIN-35428 to dopamine transporter,2003.0,742.0,CHEMBL347772,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.129596094720973,17.0,,,,,False,10.0,0.0,7.0,deprioritise
SNCA,CHEMBL6152,CHEMBL3663953,,Ki,765.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,765.0,CHEMBL3663953,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.1163385648463824,16.9,,,,,False,10.0,0.0,6.9,deprioritise
NTRK1,CHEMBL2815,CHEMBL103667,DORAMAPIMOD,Kd,770.0,nM,=,Average Binding Constant for NTRK1; NA=Not Active at 10 uM,2005.0,770.0,DORAMAPIMOD,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.113509274827518,16.9,,,,,False,10.0,0.0,6.9,deprioritise
SLC6A3,CHEMBL238,CHEMBL149246,,Ki,780.0,nM,=,Affinity to displace binding of [3H]WIN-35428 to dopamine transporter,2003.0,780.0,CHEMBL149246,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.10790539730952,16.9,,,,,False,10.0,0.0,6.9,deprioritise
SNCA,CHEMBL6152,CHEMBL3663944,,Ki,813.0,nM,=,Competitive Binding Assay: The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the hallmark Lewy Bodies of Parkinson's disease. In order to assess relative binding,2015.0,813.0,CHEMBL3663944,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.089909454405932,16.7,,,,,False,10.0,0.0,6.7,deprioritise
MAPK1,CHEMBL4040,CHEMBL255465,DEBROMOHYMENIALDISINE,IC50,824.0,nM,=,Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1,2002.0,824.0,DEBROMOHYMENIALDISINE,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.084072788302884,16.7,,,,,False,10.0,0.0,6.7,deprioritise
LRRK2,CHEMBL1075104,CHEMBL1287853,FEDRATINIB,Kd,870.0,nM,=,Binding constant for LRRK2 kinase domain,2011.0,870.0,FEDRATINIB,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0604807473813813,16.5,,,,,False,10.0,0.0,6.5,deprioritise
GBA1,CHEMBL2179,CHEMBL421040,,Ki,900.0,nM,=,Competitive Inhibition constant on Asp. Wentii beta Glucosidase at pH 5.0,1992.0,900.0,CHEMBL421040,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0457574905606752,16.4,,,,,False,10.0,0.0,6.4,deprioritise
MAPK1,CHEMBL4040,CHEMBL383264,,IC50,910.0,nM,=,Inhibition of ERK2 at 10 uM ATP,2006.0,910.0,CHEMBL383264,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0409586076789066,16.3,,,,,False,10.0,0.0,6.3,deprioritise
SNCA,CHEMBL6152,CHEMBL3593921,,Ki,959.3,nM,=,Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay,2015.0,959.3,CHEMBL3593921,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0180455555300263,16.1,,,,,False,10.0,0.0,6.1,deprioritise
GLP1R,CHEMBL1784,CHEMBL62444,,IC50,1000.0,nM,=,Inhibition of GLP1 receptor,2007.0,1000.0,CHEMBL62444,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0,16.0,,,,,False,10.0,0.0,6.0,deprioritise
PINK1,CHEMBL3337330,CHEMBL4088216,TP-030-1,IC50,1000.0,nM,=,PINK1(PIN1PHRE) Takeda global kinase panel,2021.0,1000.0,TP-030-1,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0,16.0,,,,,False,10.0,0.0,6.0,deprioritise
LRRK2,CHEMBL1075104,CHEMBL428690,ALVOCIDIB,Kd,1000.0,nM,=,Binding constant for LRRK2 kinase domain,2011.0,1000.0,ALVOCIDIB,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0,16.0,,,,,False,10.0,0.0,6.0,deprioritise
PINK1,CHEMBL3337330,CHEMBL4549667,TP-030-2,IC50,1000.0,nM,=,PINK1(PIN1PHRE) Takeda global kinase panel,2021.0,1000.0,TP-030-2,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0,16.0,,,,,False,10.0,0.0,6.0,deprioritise
PINK1,CHEMBL3337330,CHEMBL4097778,TP-030n,IC50,1000.0,nM,=,PINK1(PIN1PHRE) Takeda global kinase panel,2021.0,1000.0,TP-030n,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0,16.0,,,,,False,10.0,0.0,6.0,deprioritise
GLP1R,CHEMBL1784,CHEMBL399841,,EC50,1000.0,nM,=,Agonist activity at human GLP1 assessed as stimulation of cAMP,2007.0,1000.0,CHEMBL399841,,,,,,,,0.0,,,0.0,,False,,,,,,,,,False,0.0,2.0,16.0,,,,,False,10.0,0.0,6.0,deprioritise