Datasets:
Tasks:
Tabular Classification
Modalities:
Text
Formats:
csv
Languages:
English
Size:
100K - 1M
Tags:
cheminformatics
virtual-screening
ligand-based-screening
molecular-similarity
drug-discovery
benchmark
License:
| target_id,random_state,chem_comp_id,smiles | |
| kit,3,CHEMBL3989926,COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1 | |
| kit,3,CHEMBL495330,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3)nncc2c1 | |
| kit,3,CHEMBL553824,COc1cc2ncnc(N3CCN(C(=O)Nc4ccsc4)CC3)c2cc1OC.Cl | |
| kit,3,CHEMBL1765777,CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1 | |
| kit,3,CHEMBL1765772,CN(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1 | |
| kit,3,CHEMBL3981567,COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCC(=O)NO | |
| kit,3,CHEMBL271441,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4[nH]nc(N)c34)cc2)c1 | |
| kit,3,CHEMBL256712,CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1 | |
| kit,3,CHEMBL3937726,Cc1ccc(-c2noc([C@H]3C[C@@H](O)C3)n2)cc1NC(=O)c1cnc2ccc(F)cn12 | |
| kit,3,AV9,CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1 | |
| kit,3,CHEMBL3958497,Cc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL1835866,CC(=O)Nc1cccc(Nc2nc(N)n(-c3ccccn3)n2)c1 | |
| kit,3,CHEMBL4212117,Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)NCCCCCCC(=O)NO)cc4)n3)cc2nn1C | |
| kit,3,CHEMBL1988717,Cn1cc(-c2cnn3c(N)c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cnc23)cn1 | |
| kit,3,585,CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C | |
| kit,3,CHEMBL5844890,COc1cc2c(-c3ccc(NS(C)(=O)=O)cc3F)ncnc2cc1OCCCN1CCCCC1 | |
| kit,3,CHEMBL3897565,Cc1ccc(-c2nc(C3CC(F)(F)C3)no2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL5197792,COc1cc2c(Oc3ccc(Nc4nn(C)cc4C(=O)NC4CCCCC4)cc3F)ccnc2cc1OCCCN1CCOCC1 | |
| kit,3,CHEMBL1983111,CC(=O)NCC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12 | |
| kit,3,CHEMBL5970092,COc1cccc(-c2cc3c(N4CCN(c5ccccc5)CC4)ncnn3c2)c1 | |
| kit,3,DF6,COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4 | |
| kit,3,CHEMBL1276980,Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CC2 | |
| kit,3,CHEMBL3981974,CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccc(F)cc5)ccc34)cc2)CC1 | |
| kit,3,CHEMBL3904897,Cc1ccc(-c2noc(COC3CC(F)(F)C3(F)F)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL5905748,Cc1nc(C2CCN(c3ncnc4[nH]c(-c5cccc(Cl)c5)cc34)CC2)[nH]c1-c1ccccc1 | |
| kit,3,CHEMBL2419669,COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 | |
| kit,3,CHEMBL1765774,CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ccn1 | |
| kit,3,2TA,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4 | |
| kit,3,CHEMBL5916746,COc1cccc(Cc2cnc(N3CCN(c4ncnc5cc(OC)c(OC)cc45)CC3)nc2)c1 | |
| kit,3,CHEMBL1945170,CN(C)CCCc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 | |
| kit,3,CHEMBL4446992,COc1cc2c(Oc3ccc(C4SCC(=O)N4NC(=O)Nc4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | |
| kit,3,CHEMBL5838520,CCC(NC(=O)N1CCN(c2ncnc3[nH]c(-c4ccncc4)cc23)CC1C)c1ccccc1 | |
| kit,3,CHEMBL3914620,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(-c3c[nH]nn3)ccn12 | |
| kit,3,CHEMBL3932957,CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)[nH]3)cc2)n1 | |
| kit,3,CHEMBL3944175,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-n3cncc3C)cn12 | |
| kit,3,CHEMBL2409775,Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1 | |
| kit,3,CHEMBL4062017,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(F)c2)cc1C#Cc1cnc(N)nc1 | |
| kit,3,CHEMBL4101411,CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1 | |
| kit,3,CHEMBL3628811,O=C(Nc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1)Nc1cccc(Br)c1 | |
| kit,3,CHEMBL3628807,O=C(Nc1ccc(Oc2ncnc3ccccc23)cc1)Nc1cccc(Br)c1 | |
| kit,3,CHEMBL169390,Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1 | |
| kit,3,CHEMBL247424,O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(NCCCn2ccnc2)c1 | |
| kit,3,CHEMBL3358966,COc1cc(-c2nc(-c3c[nH]c4ccccc34)c[nH]c2=O)cc(OC)c1OC | |
| kit,3,CHEMBL4450651,CCc1cc(NC(=O)N2CC=C(c3cnc(Nc4cc(N5CCN(CC)CC5)nc(C)n4)s3)CC2)no1 | |
| kit,3,CHEMBL392600,O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ncsc1NCc1ccncc1 | |
| kit,3,CHEMBL4637172,Cc1cn(-c2cc(CCC(=O)O)cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)c2)cn1 | |
| kit,3,CHEMBL5941019,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(C(C)(O)C6CC6)cc5)cc34)C2)cc1 | |
| kit,3,CHEMBL1835741,COc1ccccc1Nc1nc(N)n(-c2ccccn2)n1 | |
| kit,3,CHEMBL4650333,COc1ccc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)cc1OC | |
| kit,3,B96,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5 | |
| kit,3,CHEMBL4074329,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccccn1 | |
| kit,3,CHEMBL202919,COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3)c2cc1OC | |
| kit,3,42Q,Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F | |
| kit,3,GUI,CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl | |
| kit,3,CHEMBL3632717,Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4ncc[nH]4)c3)ccc21 | |
| kit,3,CHEMBL3644448,COc1ccc(-c2n[nH]c3c2Cc2sc(-c4cccnc4)cc2-3)cc1 | |
| kit,3,CHEMBL5907706,C[C@H](NC(=O)N1CCN(c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)CC1)c1cccc(Cl)c1 | |
| kit,3,CHEMBL4521353,CC(C)(C)C(=O)N1N=CC[C@H]1c1ccccc1 | |
| kit,3,CHEMBL4083910,Cc1ccc(N2CCOCC2)c(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)c1 | |
| kit,3,CHEMBL4104297,Nc1nccc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3c2)n1 | |
| kit,3,CHEMBL5767702,NS(=O)(=O)c1ccc(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)cc1 | |
| kit,3,CHEMBL2206278,CCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C | |
| kit,3,CHEMBL6044859,COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)c2cc1OCCOC | |
| kit,3,CHEMBL2004438,Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12 | |
| kit,3,CHEMBL403776,CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1 | |
| kit,3,CHEMBL4641090,CC(C)Nc1cc(Nc2ccn3nccc3n2)ncc1C(=O)NC[C@@H](F)C(C)(C)O | |
| kit,3,CHEMBL4446361,O=C(CC(=O)Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1)Nc1cccc(F)c1 | |
| kit,3,CHEMBL4447225,COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccccc4C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 | |
| kit,3,CHEMBL5865201,COc1cc2ncnc(N3CCN(c4ncc(Oc5ccc(F)cc5)cn4)CC3)c2cc1OCC1CCN(C)CC1 | |
| kit,3,PP1,Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N | |
| kit,3,CHEMBL4281823,CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 | |
| kit,3,CHEMBL3932110,Cc1cn(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(C6CC(F)(F)C6)n5)ccc4C)n3c2)cn1 | |
| kit,3,CHEMBL5917953,CN1CCN(Oc2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)cc2)CC1 | |
| kit,3,S5M,CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3 | |
| kit,3,CHEMBL380703,COc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)cc3)c2cc1OC | |
| kit,3,CHEMBL5989688,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccnn5C)cc34)C2)cc1 | |
| kit,3,CHEMBL5879750,COc1cc2ncnc(N3CCN(c4ncc(OC(C)c5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL204409,COc1cc2ncnc(Oc3ccc(N/C(S)=N/Cc4ccccc4)cc3)c2cc1OC | |
| kit,3,CHEMBL5994950,CC(=O)Nc1cccc(-c2cc3c(N4CCN(C(=O)NCc5ccc(F)cc5)CC4)ncnc3[nH]2)c1 | |
| kit,3,CHEMBL3985552,Cc1ccc(-c2noc([C@H]3C[C@@H](N4CCCCC4)C3)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL5961560,COC(=O)N1CC=C(c2cc3c(N4CC(C(=O)NCc5ccc(C)cc5)C4)ncnn3c2)CC1 | |
| kit,3,CHEMBL3985461,Cc1ccc(-c2noc(C3CC(n4cccn4)C3)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL1987034,N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1 | |
| kit,3,CHEMBL213504,Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12 | |
| kit,3,CHEMBL5887276,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5cc(C)cs5)cc34)C2)cc1 | |
| kit,3,CHEMBL452965,CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(C4CCN(CC(=O)O)CC4)cc3)ncc2c1=O | |
| kit,3,CHEMBL2336029,CCCCNC(=O)c1ccc(C)c(C#Cc2cnc3ccnn3c2)c1 | |
| kit,3,CHEMBL4533153,COc1cc2c(Oc3ccc(NC(=O)NS(=O)(=O)Cc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 | |
| kit,3,J3A,Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccccc3)N4CCN(CC4)C | |
| kit,3,CHEMBL247585,O=C(Nc1cccc2c1Cc1c-2n[nH]c1-c1ccsc1)c1ccccc1 | |
| kit,3,CHEMBL5938028,COc1cc2c(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)ncnc2cc1OCCN1CCCC1=O | |
| kit,3,CHEMBL488840,Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21 | |
| kit,3,CHEMBL5763834,COc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)c(F)c1 | |
| kit,3,CHEMBL4550794,Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCO)CC2)n1.Cl | |
| kit,3,CHEMBL1081509,CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1 | |
| kit,3,L91,CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F | |
| kit,3,CHEMBL1277071,Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(CCN1CCOCC1)CCC2 | |
| kit,3,CHEMBL3288854,Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1 | |
| kit,3,CHEMBL259922,Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnc2c1cnn2-c1ccccc1 | |
| kit,3,CHEMBL4872919,Nc1c(-c2nc3cc(N4CCN(C(=O)CCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)ccc3[nH]2)c(=O)[nH]c2cccc(F)c12 | |
| kit,3,CHEMBL1765776,CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1 | |
| kit,3,CHEMBL3116440,COc1cc2c(Oc3ccc(N/C=C4\C(=O)NC(=O)N(c5ccc(C)cc5)C4=O)cc3F)ccnc2cc1OCCCN1CCCC1 | |
| kit,3,CHEMBL254702,CC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2cc(C#N)c[nH]2)CC1 | |
| kit,3,CHEMBL5835386,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(=O)n(C)c5)cc34)C2)cc1 | |
| kit,3,CHEMBL5890682,C[C@H](NC(=O)N1CCN(c2ncnc3[nH]c(-c4cccnc4)cc23)CC1)c1ccc(Cl)cc1 | |
| kit,3,CHEMBL5574298,Cc1cc(C(=O)Nc2cc(C(=O)Nc3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)no1 | |
| kit,3,CHEMBL6012664,COc1cc2ncnc(N3CCN(c4ncc(CCc5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL2152288,Nc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1 | |
| kit,3,CHEMBL5985603,CC(NC(=O)N1CCN(c2ncnc3[nH]c(-c4ccncc4)cc23)C[C@@H]1C)c1ccc(Cl)cc1 | |
| kit,3,CHEMBL4171115,COc1cc2c(Oc3ccc(NC(=O)NN4C(=O)CSC4c4c(F)cccc4F)c(F)c3)ccnc2cc1OCCCN1CCCC1 | |
| kit,3,CHEMBL425043,COc1cc2nccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC | |
| kit,3,CHEMBL1172815,Cc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)cc1 | |
| kit,3,AM9,Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C | |
| kit,3,CHEMBL1973211,Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCCC5)cnc(N)c34)cc2)c1 | |
| kit,3,CHEMBL4075321,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc(N)nn1 | |
| kit,3,CHEMBL4568087,Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 | |
| kit,3,CHEMBL107599,COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1C | |
| kit,3,CHEMBL497958,Cc1cc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)ccc1F | |
| kit,3,CHEMBL4216563,CN1CCN(c2cc(Nc3cc(-c4cccc(F)c4)[nH]n3)nc(Sc3ccccc3)n2)CC1 | |
| kit,3,CHEMBL4546349,CCN1CCN(c2cc(Nc3ncc(-c4cccnc4)s3)ncn2)CC1.Cl | |
| kit,3,IR2,c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6 | |
| kit,3,CHEMBL1966514,Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 | |
| kit,3,CHEMBL5198364,CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5ncn(Cc6ccccc6)c5c4)[nH]n3)cc2)CC1 | |
| kit,3,CHEMBL3086102,C=CC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1 | |
| kit,3,CHEMBL3823520,COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccccc5Cl)nn4)cc3F)ccnc2cc1OCCCN1CCCCC1 | |
| kit,3,CHEMBL5813712,COc1ccc(-c2cc3c(N4CC(C(=O)NCc5ccc(C)cc5)C4)ncnn3c2)nc1 | |
| kit,3,CHEMBL5201556,CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1 | |
| kit,3,CHEMBL3086319,CC1(C)CC=C(c2cc(C(C)(C)NCCO)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 | |
| kit,3,CHEMBL5858517,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(N6CCCC6=O)cc5)cc34)C2)cc1 | |
| kit,3,CHEMBL273077,Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12 | |
| kit,3,CHEMBL5874032,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5cn(C)cn5)cc34)C2)cc1 | |
| kit,3,CHEMBL2336028,Cc1ccc(C(=O)NC(C)C)cc1C#Cc1cnc2ccnn2c1 | |
| kit,3,CHEMBL4072731,Cc1cc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)ccc1N1CCOCC1 | |
| kit,3,CHEMBL5774179,COc1cc2ncnc(N3CCN(c4ncc(Oc5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL2429872,CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc21 | |
| kit,3,CHEMBL5201102,COC(=O)c1ccc2c(C(Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1 | |
| kit,3,CHEMBL4080062,O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2cc(Oc3cc(CO)ncn3)ccc12 | |
| kit,3,CHEMBL6006946,COc1cc2ncnc(-c3ccc(NS(C)(=O)=O)c(F)c3)c2cc1OC | |
| kit,3,CHEMBL4645320,CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(-c4ccc(OCCN5CCOCC5)cc4Cl)nn3)cc2)no1 | |
| kit,3,CHEMBL561889,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ccc2occc(=O)c2c1 | |
| kit,3,CHEMBL1823219,Cc1cc2c(cc1N1CCN(C3COC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O | |
| kit,3,CHEMBL2007151,Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1 | |
| kit,3,CHEMBL6027659,COCCN1CC=C(c2cc3c(N4CC(C(=O)NCc5ccc(C)cc5)C4)ncnn3c2)CC1 | |
| kit,3,CHEMBL1240703,CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O | |
| kit,3,C19,CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N | |
| kit,3,CHEMBL3114027,CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(Cl)c2)n1 | |
| kit,3,CHEMBL5923304,COc1cc2ncnc(N3CCN(c4ncc(NC(C)c5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL3594105,COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(-c5ccccc5Cl)c4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | |
| kit,3,CHEMBL406404,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCN4CCOCC4)c4onc(N)c34)cc2)c1 | |
| kit,3,CHEMBL497343,Cc1ccn(-c2ccc(-n3cccn3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1 | |
| kit,3,CHEMBL494821,Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1 | |
| kit,3,CHEMBL6006660,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(C6CC6)cc5)cc34)C2)cc1 | |
| kit,3,CHEMBL3690072,Cc1ccc(NC(=O)c2ccc3c(c2)CCC3N2CCN(C)CC2)cc1Nc1nccc(-c2cccnc2)n1 | |
| kit,3,CHEMBL469882,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncnc1 | |
| kit,3,CHEMBL2336030,Cc1ccc(C(=O)NCC(C)C)cc1C#Cc1cnc2ccnn2c1 | |
| kit,3,CHEMBL2037226,Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1 | |
| kit,3,O19,c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5 | |
| kit,3,CHEMBL1982466,Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1 | |
| kit,3,CHEMBL5988689,COc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1cccs1 | |
| kit,3,CHEMBL373798,Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 | |
| kit,3,CHEMBL3972512,COCC1(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)CC1 | |
| kit,3,CHEMBL3593291,CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CCC(N)C5)nc(C)n4)s3)cc2)no1 | |
| kit,3,CHEMBL5980852,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5sc(C)nc5C)cc34)C2)cc1 | |
| kit,3,KRJ,c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N | |
| kit,3,CHEMBL4528798,CCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(N)=O)cc4)s3)ncn2)CC1 | |
| kit,3,CHEMBL2409781,Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4n3)c2)n(C)n1 | |
| kit,3,1FN,c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F | |
| kit,3,CHEMBL262607,Cc1ccc(F)c(NC(=O)Nc2ccc(C3=Nc4c(N)ncnc4NCC3)cc2)c1 | |
| kit,3,CHEMBL4104302,Nc1nccc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)c1Cl | |
| kit,3,CHEMBL5743681,C[C@H]1CN(c2ncnc3[nH]c(-c4ccncc4)cc23)CCN1C(=O)Nc1ccc(OC(F)(F)F)cc1 | |
| kit,3,CHEMBL1765779,CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1 | |
| kit,3,CHEMBL4289577,O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cc2cccnc2n(-c2ccc(F)cc2)c1=O | |
| kit,3,CHEMBL3987184,CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)c(F)c2)CC1 | |
| kit,3,CHEMBL3319476,COc1cccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)c1 | |
| kit,3,CHEMBL523816,Nc1ccc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1 | |
| kit,3,CHEMBL4847875,CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(C(F)(F)F)nc4)cc3)ncnc2c1 | |
| kit,3,CHEMBL5902770,Cc1ccc(-c2cc3c(N4CCN(C(=O)N[C@@H](C)c5cccc(Cl)c5)C(C)(C)C4)ncnc3[nH]2)cn1 | |
| kit,3,CHEMBL5979046,COc1cc2c(N3CCN(c4ncc(Nc5ccc(C)cc5)cn4)CC3)ncnc2cc1OCCCN1CCCCC1 | |
| kit,3,CHEMBL4090058,Cc1c(C#Cc2cnc(N)nc2)cccc1C(=O)Nc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1 | |
| kit,3,CHEMBL3319471,COc1ccc(-c2c[nH]c3ncc(-c4ccc5c(c4)OCO5)cc23)cc1OC | |
| kit,3,CHEMBL244378,O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1 | |
| kit,3,CHEMBL3085973,COCCNCC(C)(C)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1 | |
| kit,3,CHEMBL445394,COc1ccccc1NC(=O)Nc1ccc(-c2c(C)sc3ncnc(N)c23)cc1 | |
| kit,3,CHEMBL5873828,NC(=O)c1cccc(-c2cc3c(N4CCN(C(=O)Nc5ccc(OC(F)(F)F)cc5)CC4)ncnc3[nH]2)c1 | |
| kit,3,CHEMBL5751169,COc1cc2ncnc(N3CCN(c4ncc(Sc5ccc(F)cc5)cn4)CC3)c2cc1OCC1CCN(C)CC1 | |
| kit,3,CHEMBL4438683,CCc1cc(NC(=O)Nc2ccc(-c3csc(Nc4cc(N5CCN(CC)CC5)nc(C)n4)n3)cc2)no1 | |
| kit,3,CHEMBL488834,Cc1ccc(C(=O)NCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1 | |
| kit,3,CHEMBL5416410,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.O | |
| kit,3,CHEMBL1984162,COCCOC1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)CC1 | |
| kit,3,CHEMBL5961126,Cc1nc(C2(C)CCN(c3ncnc4[nH]c(-c5ccc(F)cc5)cc34)CC2)[nH]c1-c1ccccc1 | |
| kit,3,CHEMBL3319467,COc1ccc(-c2c[nH]c3ncc(-c4ccc(C(=O)N5CCOCC5)c(N)c4)cc23)cc1OC | |
| kit,3,P48,CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C | |
| kit,3,CHEMBL248257,N#Cc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | |
| kit,3,CHEMBL3642830,C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc1C(F)(F)F | |
| kit,3,CHEMBL3109337,COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCNC[C@H]5F)c4n3)cnc2c1 | |
| kit,3,CHEMBL376307,Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12 | |
| kit,3,CHEMBL1971947,Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1 | |
| kit,3,CHEMBL3891305,Cc1ccc(-c2noc(C3CC(=CCCO)C3)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL205674,COc1cc2nccc(Oc3ccc(N/C(S)=N/C4CCCCC4)cc3)c2cc1OC | |
| kit,3,CHEMBL3935251,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(N3CCOCC3)cn12 | |
| kit,3,CHEMBL3319475,COc1ccc(-c2c[nH]c3ncc(-c4ccc(OCCN5CCOCC5)c(N)c4)cc23)cc1OC | |
| kit,3,CHEMBL3621496,CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccccc4F)c23)CC1 | |
| kit,3,CHEMBL1835747,Nc1nc(Nc2ccc(N3CCOCC3)cc2)nn1-c1ccccn1 | |
| kit,3,CHEMBL2336021,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 | |
| kit,3,CHEMBL3085976,CC1(C)CC=C(c2cc(C(C)(C)NCCN3CCOCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 | |
| kit,3,CHEMBL3319449,COc1ccc(-c2c[nH]c3ncc(-c4ccccc4C)cc23)cc1OC | |
| kit,3,CHEMBL4549667,CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3Br)C2=O)COc2ccccc21 | |
| kit,3,CHEMBL4082210,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1ccccn1 | |
| kit,3,CHEMBL4098896,COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(C#N)c4)c3F)cc12 | |
| kit,3,CHEMBL3290931,COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C(F)(F)F)c(=O)cc4C)cc3F)ccnc2cc1OCCCN1CCOCC1 | |
| kit,3,CHEMBL6020201,CNc1cnc2ccc(Nc3ccc(OCc4ccc(OC)cc4)c(OC)c3)c(C#N)c2n1 | |
| kit,3,CHEMBL2336025,Cc1ccc(C(=O)Nc2cccc(-n3ccnc3)c2)cc1C#Cc1cnc2ccnn2c1 | |
| kit,3,CHEMBL4066684,Cc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1 | |
| kit,3,CHEMBL4103890,Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccnc4)cc3)c12 | |
| kit,3,CHEMBL204120,COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)C4CCCCC4)cc3)c2cc1OC | |
| kit,3,CHEMBL2336019,Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1C#Cc1cnc2ccnn2c1 | |
| kit,3,BAX,CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl | |
| kit,3,887,COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)NC5CC5 | |
| kit,3,CHEMBL3085829,CC1(C)CC=C(c2cc(C(C)(C)N3CCS(=O)(=O)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 | |
| kit,3,CHEMBL3923164,Cc1ccc(C(=O)NC2CC(F)(F)C2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL1977041,COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C | |
| kit,3,CHEMBL3642837,Cc1ccc(C(=O)Nc2ccc(NC(=O)CCl)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 | |
| kit,3,CHEMBL1988370,Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CC(CN2CCCC2)C1 | |
| kit,3,CHEMBL3319447,COc1ccc(-c2c[nH]c3ncc(-c4ccncc4)cc23)cc1OC | |
| kit,3,CHEMBL5985113,Cc1ncc(-c2cc3c(N4CCN(C(=O)Nc5ccc(OC(F)(F)F)cc5)CC4)ncnc3[nH]2)s1 | |
| kit,3,CHEMBL2409790,Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)c2)n(C)n1 | |
| kit,3,CHEMBL3974605,Cc1ccc(-c2noc(CNC3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL484884,N#Cc1cccc(Nc2noc3c(C(=O)Nc4cncnc4)c(Cl)ccc23)c1 | |
| kit,3,2V9,C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O | |
| kit,3,CHEMBL5744507,COc1cc2ncnc(N3CCN(c4ncc(Sc5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL5619692,O=C(Cc1ccccc1F)Nc1cccc(Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1 | |
| kit,3,CHEMBL1835745,COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C#N)cn2)n1 | |
| kit,3,CHEMBL3745919,CN(C)CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 | |
| kit,3,CHEMBL3903054,CON=C1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1 | |
| kit,3,CHEMBL5201128,COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)NC5CC5)CC4)c(Cl)c3)c2cc1C(N)=O | |
| kit,3,CHEMBL4093614,Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)[C@H]1CCCN1.Cl | |
| kit,3,CHEMBL3319472,COc1ccc(-c2c[nH]c3ncc(-c4ccc(N)cc4)cc23)cc1OC | |
| kit,3,CHEMBL5757818,COc1ccc(CNc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1 | |
| kit,3,CHEMBL4483070,CCN1CCN(c2cc(Nc3ncc(-c4ccccc4)s3)nc(C)n2)CC1.Cl | |
| kit,3,CHEMBL5796620,Fc1ccc(-c2cc3c(N4CCN(c5nc6ccccc6[nH]5)CC4)ncnc3[nH]2)cc1 | |
| kit,3,CHEMBL3319448,COc1ccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cc1OC | |
| kit,3,CHEMBL4464080,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc(-c2cnc3cnccn23)c1 | |
| kit,3,CHEMBL3321816,NC(=O)c1c(N)n(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12 | |
| kit,3,CHEMBL5930843,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5cnn(C)c5N)cc34)C2)cc1 | |
| kit,3,CHEMBL525744,Cc1ccn(-c2ccc(N3CCOCC3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1 | |
| kit,3,CHEMBL3780676,COc1cc2c(Oc3ccc(NC(=O)c4c(Cl)c5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | |
| kit,3,CHEMBL470808,CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)(C)C)c2)n3C)ccn1 | |
| kit,3,CHEMBL397345,O=C(Nc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | |
| kit,3,CHEMBL246424,CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 | |
| kit,3,CHEMBL2435999,COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(C)cc5)ccn4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | |
| kit,3,627,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC | |
| kit,3,CHEMBL4084391,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncc(-c2cnn(C)c2)c1 | |
| kit,3,CHEMBL1982476,CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12 | |
| kit,3,CHEMBL403402,Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 | |
| kit,3,CHEMBL99743,COc1cc2ncnc(N3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2cc1OC | |
| kit,3,CHEMBL400308,O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(C2=NCCN2)c1 | |
| kit,3,CHEMBL3593293,CCN1CCN(c2cc(Nc3ncc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)s3)nc(C)n2)CC1 | |
| kit,3,CHEMBL4544320,CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O | |
| kit,3,P2X,CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N | |
| kit,3,CHEMBL5825366,COc1cc2c(N3CCN(c4ncc(Br)cn4)CC3)ncnc2cc1OCCCN1CCCC1 | |
| kit,3,CHEMBL2180602,CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(F)cc21 | |
| kit,3,CHEMBL5405018,Cn1cc(-c2ccc(CNc3cc(-c4cnc5cc(OCCN6CCCC6)ccn45)ncn3)cc2)cn1 | |
| kit,3,P31,c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F | |
| kit,3,55J,Cn1c2ccc(cc2nc1Nc3ccc(cc3)C(F)(F)F)Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F | |
| kit,3,CHEMBL5861207,Fc1ccc(-c2cc3c(N4CCC(c5nc(C6CC6)c(-c6ccccc6)[nH]5)CC4)ncnc3[nH]2)cc1 | |
| kit,3,CHEMBL5884052,COc1cc2ncnc(N3CCN(c4ncc(NCc5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL3931223,COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccccc5OC)cn4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | |
| kit,3,0LI,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C | |
| kit,3,CHEMBL3674570,CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 | |
| kit,3,CHEMBL4085962,Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12 | |
| kit,3,CHEMBL4224704,CNC(=O)c1ccc(Sc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc1 | |
| kit,3,CHEMBL3774451,O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F | |
| kit,3,CHEMBL4059858,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cccc(-c2cccnc2)c1 | |
| kit,3,CHEMBL1765770,CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1 | |
| kit,3,CHEMBL3335371,CC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2cccc(C(C)(C)C)c2)n3C)ccn1 | |
| kit,3,CHEMBL3621515,CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1C | |
| kit,3,CHEMBL203279,COc1cc2ncnc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC | |
| kit,3,AQB,CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)NC(=O)CCCN(C)C | |
| kit,3,0KF,Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5 | |
| kit,3,CHEMBL3114022,Cc1cccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1 | |
| kit,3,CHEMBL398872,O=C(NCCCN1CCOCC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | |
| kit,3,CHEMBL2002346,c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1 | |
| kit,3,CHEMBL270489,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)c4onc(N)c34)cc2)c1 | |
| kit,3,CHEMBL5202408,CNC(=O)c1ccc(F)c(-c2cnc3cc(-c4cnn(C)c4)c(OC)nn23)c1 | |
| kit,3,CHEMBL494272,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)nncc2c1 | |
| kit,3,CHEMBL6041375,Fc1ccc(-c2cc3c(-c4ccncc4)ncnc3[nH]2)cc1 | |
| kit,3,CHEMBL4208852,CNc1ncc2c(-c3ccc(N4CCN(C)CC4)nc3)nn(CC3CCCC3)c2n1 | |
| kit,3,CHEMBL382517,Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 | |
| kit,3,CHEMBL3962741,Cc1nnc(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(C6CC(F)(F)C6)n5)ccc4C)n3c2)[nH]1 | |
| kit,3,2K2,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC | |
| kit,3,YMX,CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F | |
| kit,3,CHEMBL575925,CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cn4c(n3)sc3ccccc34)cc2)no1 | |
| kit,3,CHEMBL1278233,CCN(CC)CCN1CCc2[nH]c(/C=C3\C(=O)Nc4ccc(Br)cc43)c(C)c2C1=O | |
| kit,3,CHEMBL271386,Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 | |
| kit,3,CHEMBL6046154,COc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3F)c2cc1OCCCN1CCOCC1 | |
| kit,3,CHEMBL1833992,COc1ccc(N2CCOCC2)cc1Nc1nc(N)n(-c2ccccn2)n1 | |
| kit,3,CHEMBL5941476,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3snnc3C)c2)n1 | |
| kit,3,CHEMBL3900488,Cc1ccc(-c2noc(C3CC3)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL3086317,CC1(C)CC=C(c2cc(C(C)(C)OCCN3CCCC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 | |
| kit,3,CHEMBL1835870,Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1 | |
| kit,3,CHEMBL5932395,COc1cc2ncnc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)c2cc1OCCCN1CCOCC1 | |
| kit,3,CHEMBL5408198,Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(C(=O)NO)cc1 | |
| kit,3,CHEMBL249097,Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1 | |
| kit,3,CHEMBL5088179,NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@@H](O)CC3)n2)cc1 | |
| kit,3,CHEMBL247591,COCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | |
| kit,3,CHEMBL4079252,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1I | |
| kit,3,CHEMBL382399,COc1cc2ncnc(Oc3ccc(N/C(S)=N/CC4CCCCC4)cc3)c2cc1OC | |
| kit,3,CHEMBL212985,Cc1ccccc1NC(=O)NCc1ccc(-c2n[nH]c3c2Cc2ccc(CN4CCN(C)CC4)cc2-3)s1 | |
| kit,3,CHEMBL5923383,Cc1n[nH]c2ncnc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c12 | |
| kit,3,CHEMBL3339360,COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 | |
| kit,3,X2M,Cc1cc([nH]c1\C=C/2\c3ccccc3NC2=O)C | |
| kit,3,CHEMBL2336011,COc1cc(CN2CCN(C)CC2)cc(NC(=O)c2ccc(C)c(C#Cc3cnc4ccnn4c3)c2)c1 | |
| kit,3,CHEMBL4303201,COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ccnc2cc1OCC1(N)CC1 | |
| kit,3,CHEMBL1079545,CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3O)cc2)no1 | |
| kit,3,CHEMBL487864,CC(=O)Nc1ccc(NC(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cn1 | |
| kit,3,CHEMBL3608784,O=C(NCc1cccc(NC(=O)c2cnc3ccccn23)c1)Nc1ccccc1 | |
| kit,3,CHEMBL2158300,CC(C)(N)CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1 | |
| kit,3,0WH,Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F | |
| kit,3,CHEMBL5964613,CCCS(=O)(=O)Nc1ccc(-c2ncnc3cc(OC)c(OC)cc23)c(F)c1 | |
| kit,3,CHEMBL4079932,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1NC(=O)c1cccc(-c2cccs2)c1 | |
| kit,3,CHEMBL493670,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)nncc2c1 | |
| kit,3,CHEMBL3976979,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(CN3CCOC3=O)cn12 | |
| kit,3,CHEMBL4444606,CNC(=O)c1cnc(Nc2ccc(OC)cn2)cc1Nc1ccccc1S(C)(=O)=O | |
| kit,3,CHEMBL5092589,NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@H]3CC[C@H](O)CC3)n2)cn1 | |
| kit,3,CHEMBL1991429,O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1 | |
| kit,3,J60,CCN(CC)CCNC(=O)c1c(c([nH]c1C)\C=C/2\c3cc(ccc3NC2=O)Cl)C | |
| kit,3,CHEMBL19954,COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1 | |
| kit,3,CHEMBL1998953,c1ccc(-c2c[nH]c3ncnc(N4CCCCC4)c23)cc1 | |
| kit,3,CHEMBL4097778,CN1C(=O)[C@@H](N2CCc3cn(CC4CCS(=O)(=O)CC4)nc3C2=O)COc2ccccc21 | |
| kit,3,CHEMBL2336008,Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 | |
| kit,3,CHEMBL5761636,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(C3=NN=C(C(=O)Nc4ccccc4)C3)c2)n1 | |
| kit,3,CHEMBL4855726,Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)ccnc3C)s2)cc(NN2CCN(CCO)CC2)n1 | |
| kit,3,CHEMBL6043106,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(C(=O)N(C)C)cc5)cc34)C2)cc1 | |
| kit,3,CHEMBL1241473,COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC | |
| kit,3,CHEMBL5768904,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5cnn(C6CC6)c5)cc34)C2)cc1 | |
| kit,3,CHEMBL231568,CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 | |
| kit,3,CHEMBL3085984,CC1(C)CC=C(c2cc(CN3CCN(CCO)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1 | |
| kit,3,CHEMBL4210100,COc1cc2c(cc1OC)Nc1ncnc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c1NC2 | |
| kit,3,CHEMBL5908438,Cc1n[nH]c2ncnc(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)c12 | |
| kit,3,CHEMBL5289631,CC(=O)Nc1cc(Oc2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)ncn1 | |
| kit,3,CHEMBL222315,Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4CCCCC4)cc3)c12 | |
| kit,3,CHEMBL1966836,Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)ccnc21 | |
| kit,3,CHEMBL5913143,COc1cc2ncnc(N3CCN(c4ncc(NC(=O)Cc5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL379218,Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 | |
| kit,3,CHEMBL438797,Cc1ccccc1NC(=O)Nc1ccc(-c2c(C)sc3ncnc(N)c23)cc1 | |
| kit,3,CHEMBL4764463,COc1cc2c(Oc3ccc(NC(=O)C4(c5nnc(-c6ccc(F)cc6)o5)CC4)cc3F)ccnc2cc1OCCCN1CCCCC1 | |
| kit,3,CHEMBL3764279,C=CCc1cccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)c1O | |
| kit,3,P17,CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl | |
| kit,3,CHEMBL5834635,Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCCC5)C4=O)nc3)ccn2)cn1 | |
| kit,3,CHEMBL4071160,Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12 | |
| kit,3,CHEMBL5858162,Cc1ccc(NC(=O)c2ccc(CN3CCNCC3)cc2)cc1Nc1nccc(-c2cncc(-c3ccccn3)c2)n1 | |
| kit,3,CHEMBL3623375,CN(C)CCCNC(=O)c1csc2nc(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cn12 | |
| kit,3,CHEMBL3977682,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(C#N)cn12 | |
| kit,3,CHEMBL3632719,Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 | |
| kit,3,CHEMBL4213341,Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)cc2nn1C | |
| kit,3,CHEMBL565366,CN1CCN(C(=O)c2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1 | |
| kit,3,CHEMBL3809935,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccncc2)CC1 | |
| kit,3,CHEMBL3593283,Cc1nc(Nc2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc(N2CCN(C)CC2)n1 | |
| kit,3,P40,Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NCCN4CCOCC4)C(=O)NC5CC5 | |
| kit,3,CHEMBL5866259,COc1ccc(COc2ccc(Nc3ccc4ncc(N(C)C)nc4c3C#N)cc2OC)cc1 | |
| kit,3,CHEMBL4793380,CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 | |
| kit,3,H8H,CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl | |
| kit,3,CHEMBL4458373,CCc1cc(NC(=O)Nc2ccc(-c3sc(Nc4cc(N5CCN(CC)CC5)ncn4)nc3C)cc2)no1 | |
| kit,3,CHEMBL4083050,Cc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(CO)c34)cc2)c1 | |
| kit,3,CHEMBL4546279,CCc1cc(NC(=O)NCC#Cc2cnc(Nc3cc(N4CCN(CC)CC4)ncn3)s2)no1 | |
| kit,3,CHEMBL5401158,O=C(Nc1ccc(N2CCNCC2)cc1)c1n[nH]cc1Nc1cc(Oc2ccccc2)ncn1 | |
| kit,3,CHEMBL4799113,COCC/C(=N\S(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1 | |
| kit,3,CHEMBL4452166,CCN1CCN(c2cc(Nc3ncc(-c4ccnc(C)c4)s3)nc(C)n2)CC1.Cl | |
| kit,3,CHEMBL2430267,CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC/C2=C1/C(=O)Nc2ccc(OC)cc21 | |
| kit,3,CHEMBL3680625,N#Cc1cnc(C(=O)Oc2ccc(C3CCN(C(=O)[C@H](O)CO)CC3)cc2C2=CCCCC2)[nH]1 | |
| kit,3,CHEMBL5758524,COc1cccc(-c2cc3c(N4CC(C(=O)NCc5ccc(C)cc5)C4)ncnn3c2)c1 | |
| kit,3,CHEMBL574059,Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cc3)nc21 | |
| kit,3,CHEMBL1779201,CC1(C)c2cc(N3CCN(C4COC4)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 | |
| kit,3,CHEMBL5970287,COc1cc2ncc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c(F)c3)nc2cc1OC | |
| kit,3,CHEMBL203227,COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC | |
| kit,3,CHEMBL3907270,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)c(C)c1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL496505,CC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1 | |
| kit,3,CHEMBL124660,COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1 | |
| kit,3,CHEMBL4634073,COC(=O)Nc1ccc(-c2c(OC3CCN(C)CC3)nc3c(-c4ccc(OC)c(OC)c4)cnn3c2N)cc1 | |
| kit,3,CHEMBL1835864,Nc1nc(Nc2cccc(C(=O)N3CCOCC3)c2)nn1-c1ccccn1 | |
| kit,3,CHEMBL262433,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1 | |
| kit,3,38O,CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N | |
| kit,3,CHEMBL5773076,COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3F)c2cc1OCCOC | |
| kit,3,CHEMBL2206666,O=C(Nc1cccc(Oc2ccc3nccn3n2)c1)c1cccc(C(F)(F)F)c1 | |
| kit,3,CHEMBL585666,Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)nc21 | |
| kit,3,CHEMBL508928,Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1 | |
| kit,3,CHEMBL5960364,COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OCC1CCNCC1 | |
| kit,3,CHEMBL3917218,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(CCN3CCN(C)CC3)cn12 | |
| kit,3,919,CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC | |
| kit,3,CHEMBL2086760,CCN1CCC(Nc2ccc3c(c2)C(=C(c2ccc(Cl)cc2)c2ncc[nH]2)C(=O)N3)CC1 | |
| kit,3,03X,CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC | |
| kit,3,CHEMBL3680619,N#Cc1cnc(C(=O)Oc2ccc(C3CCN(C(=O)CCN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1 | |
| kit,3,706,CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C | |
| kit,3,CHEMBL5861837,Cn1cc(-c2cc3c(N4CCN(C(=O)Nc5ccc(OC(F)(F)F)cc5)CC4)ncnc3[nH]2)cn1 | |
| kit,3,CHEMBL5800547,Cc1cc2c(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4F)c(F)c3)ncnc2[nH]1 | |
| kit,3,6T2,CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N | |
| kit,3,CHEMBL5314391,CCN1CCC(Nc2ccc3c(c2)/C(=C(\c2cccc(F)c2)c2nc(C)c[nH]2)C(=O)N3)CC1 | |
| kit,3,CHEMBL5784634,CCCS(=O)(=O)Nc1ccc(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)cc1F | |
| kit,3,CHEMBL5790962,COc1cc2ncnc(N3CCN(c4ncc(Nc5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL4112717,Cc1ccc(-c2noc(C3CC4(C3)OC[C@@H](C)O4)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL1290790,COc1ccc(-c2c[nH]c3ncc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cc23)cc1OC | |
| kit,3,CHEMBL5843556,COc1cc2ncnc(N3CCN(c4ncc(C(=O)Nc5ccccc5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL598626,CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1 | |
| kit,3,CHEMBL5789372,Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CN(S(C)(=O)=O)C5)C4=O)nc3)ccn2)cn1 | |
| kit,3,CHEMBL4092478,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1cccnc1 | |
| kit,3,CHEMBL5813040,O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)c(F)c1 | |
| kit,3,CHEMBL5923838,COc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCc1cnccn1 | |
| kit,3,4VE,Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F | |
| kit,3,CHEMBL1276981,CCN(CC)CCN1CCCc2[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c(C)c2C1=O | |
| kit,3,CHEMBL3944021,Cc1ccc(-c2noc(CNC(=O)C3CC3(F)F)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL3927187,C=C1CC(c2nc(-c3ccc(F)c(NC(=O)c4cnc5ccccn45)c3)no2)C1 | |
| kit,3,CHEMBL378831,CN1CCN(Cc2ccc3c(c2)-c2n[nH]c(-c4ccc(CN(C)C(=O)Nc5cccc(Cl)c5)s4)c2C3)CC1 | |
| kit,3,CHEMBL5855251,Cc1n[nH]c2ncnc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)c12 | |
| kit,3,CHEMBL1983963,Cc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1 | |
| kit,3,CHEMBL1765780,CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1 | |
| kit,3,CHEMBL4587222,CCN1CCN(CCCOc2cc3nccc(Oc4c(F)cc(NC(=O)NN5C(=O)CSC5c5c(F)cccc5F)cc4F)c3cc2OC)CC1 | |
| kit,3,CHEMBL1967878,Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1 | |
| kit,3,CHEMBL2105717,COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC | |
| kit,3,CHEMBL5982843,CS(=O)(=O)Nc1cc(F)c(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)cc1F | |
| kit,3,CHEMBL4521178,Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(OCCN2CCOCC2)n1.Cl | |
| kit,3,CHEMBL2430260,Cc1[nH]c2c(c1C(=O)NCCN1CCCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 | |
| kit,3,CHEMBL194842,Cc1cccc(NC(=O)Nc2ccc(-c3c(CN4CCOCC4)sc4ncnc(N)c34)cc2)c1 | |
| kit,3,CHEMBL4545864,CCc1cc(NC(=O)NCCCc2cnc(Nc3cc(N4CCN(CC)CC4)nc(C)n3)s2)no1 | |
| kit,3,CHEMBL3309402,COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)c(=O)c5ccccc45)cc3F)ccnc2cc1OCCCN1CCCC1 | |
| kit,3,CHEMBL3628808,O=C(Nc1ccc(Oc2ncnc3sccc23)cc1)Nc1cccc(Br)c1 | |
| kit,3,CHEMBL482967,Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1 | |
| kit,3,88Z,COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F | |
| kit,3,CHEMBL411903,Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)CCN2 | |
| kit,3,CHEMBL2403817,CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(N)cc34)cc2)n(-c2cccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c2)n1 | |
| kit,3,CHEMBL453057,Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)ccn4c3N)cc2)c1 | |
| kit,3,CHEMBL3680620,N#Cc1cn(OC(=O)C(F)(F)F)c(C(=O)Nc2ccc(C3CCN(Cc4ccccn4)CC3)cc2C2=CCCCC2)n1 | |
| kit,3,CHEMBL4558996,CCN1CCN(c2cc(Nc3ncc(-c4cncnc4)s3)nc(C)n2)CC1.Cl | |
| kit,3,CHEMBL3343366,COc1cc2c(Oc3ccc(NC(=O)c4nnn(-c5ccc(F)cc5)c4C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1 | |
| kit,3,CHEMBL5925830,Cc1ccnc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)c1 | |
| kit,3,CHEMBL4794496,COc1cc2ncnc(Oc3ccc(Nc4nccc5[nH]cc(-c6ccc(F)cc6)c(=O)c45)cc3F)c2cc1OC | |
| kit,3,07J,CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl | |
| kit,3,CHEMBL1968791,Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1 | |
| kit,3,CHEMBL4066141,CCC(=O)N1CC[C@H](N2C(=O)N(c3cc(OC)ccc3Cl)Cc3cnc(Nc4ccc(N5CCN(C6COC6)CC5)c(C)c4)nc32)C1 | |
| kit,3,CHEMBL2311806,Cc1cc(NC(=O)c2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)cc(-n2cnc(C)c2)c1 | |
| kit,3,CHEMBL2347053,O=C1Nc2ccccc2/C1=C/c1c[nH]nc1-c1ccccc1[N+](=O)[O-] | |
| kit,3,CHEMBL5188373,COCC1CN(C2CCN(c3cc(OC)c(Nc4ncc(Br)c(Nc5ccc6c(c5P(C)(C)=O)OCCO6)n4)cc3C)CC2)C1 | |
| kit,3,CHEMBL3925055,Cc1ccc(-c2noc(CCC3(O)CC3)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL1088796,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1 | |
| kit,3,CHEMBL1971245,CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1 | |
| kit,3,CHEMBL1999484,CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)s1 | |
| kit,3,CHEMBL459850,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O | |
| kit,3,CHEMBL4862702,Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 | |
| kit,3,CHEMBL248398,O=C(NC1CC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | |
| kit,3,CHEMBL2158227,CS(=O)(=O)CCN1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1 | |
| kit,3,WBI,c1cc(ccc1C(=O)NC2=CC(=CNC2=O)c3ccncc3)N4CCCCC4 | |
| kit,3,CHEMBL3942958,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(C3CCNCC3)ccn12 | |
| kit,3,CHEMBL556140,CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cncc(-c5cccs5)c4)c3)cc2C(F)(F)F)CC1 | |
| kit,3,CHEMBL525893,Cc1ccn(-c2ccc(-c3ncco3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1 | |
| kit,3,CHEMBL3680622,CN(C)CC(=O)N1CCC(c2ccc(OC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1 | |
| kit,3,8EN,Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F | |
| kit,3,8ST,c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3 | |
| kit,3,CHEMBL470483,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccc(N)nc1 | |
| kit,3,CHEMBL5927887,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(C6(O)CCCC6)cc5)cc34)C2)cc1 | |
| kit,3,CHEMBL209922,CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(CNC(=O)Nc5ccccc5Cl)s4)n[nH]c2-3)CC1 | |
| kit,3,CHEMBL257153,N#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCS(=O)(=O)CC2)[nH]1 | |
| kit,3,CHEMBL4088216,CN1C(=O)[C@@H](N2CCc3cn(Cc4ccccc4)nc3C2=O)COc2ccccc21 | |
| kit,3,CHEMBL4092506,COc1cccnc1C#Cc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C | |
| kit,3,CHEMBL4168811,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc2c(c1)N(C(=O)CN1CCOCC1)CC2)c1ccccc1 | |
| kit,3,CHEMBL3358996,COc1cc(-c2nc(-c3ccc(O)cc3)c[nH]c2=O)cc(OC)c1OC | |
| kit,3,CHEMBL510516,CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)cc3)c2c1 | |
| kit,3,CHEMBL2409779,Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c2)n(C)n1 | |
| kit,3,4VD,Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F | |
| kit,3,CHEMBL584052,O=C1Nc2ccccc2-c2ccnc3[nH]cc(c23)C1c1ccc(O)cc1 | |
| kit,3,CHEMBL1835867,CN1CCC(c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC1 | |
| kit,3,CHEMBL5912843,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cncc(-c3nnco3)c2)n1 | |
| kit,3,CHEMBL1614710,O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12 | |
| kit,3,CHEMBL5793139,O=C(NCCc1ccccc1)N1CCN(c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)CC1 | |
| kit,3,CHEMBL4097771,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(F)c2)cc1C#Cc1cccnc1 | |
| kit,3,CHEMBL150894,CC(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 | |
| kit,3,CHEMBL2018882,COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC | |
| kit,3,CHEMBL5786485,COc1ccc(COc2ccc(Oc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1 | |
| kit,3,CHEMBL6006991,COc1cc2ncnc(N3CCN(c4ncc(Cc5cccc(C(N)=O)c5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL4104034,Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(N5CCN(C)CC5)c4)cc3)c12 | |
| kit,3,CHEMBL4103299,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc(N)nc1 | |
| kit,3,CHEMBL410731,Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3F)cc1)CCN2 | |
| kit,3,CHEMBL5772766,COc1ccc(COc2ccc(Nc3ccc4ncc(N5CCCC5)nc4c3C#N)cc2OC)cc1 | |
| kit,3,CHEMBL2336032,Cc1ccc(C(=O)NC2CCCC2)cc1C#Cc1cnc2ccnn2c1 | |
| kit,3,CHEMBL4216467,CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21 | |
| kit,3,CHEMBL5406320,COc1ccn2c(-c3cc(NCc4ccc(-c5ccccc5)cc4)ncn3)cnc2c1 | |
| kit,3,CHEMBL5911444,Cc1ccc(-c2cc3c(N4CCN(C(=O)NCc5ccc(F)cc5)CC4)ncnc3[nH]2)cn1 | |
| kit,3,CHEMBL2170016,CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl | |
| kit,3,CHEMBL426887,Nc1n[nH]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12 | |
| kit,3,CHEMBL260305,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(F)c4onc(N)c34)cc2)c1 | |
| kit,3,CHEMBL574738,CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 | |
| kit,3,CHEMBL5934999,Cc1cc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)sn1 | |
| kit,3,CHEMBL4779315,COc1cc2nccc(Oc3ccc(NC(=O)C(OC(=O)c4ccc(F)cc4)C(C)(C)C)cc3F)c2cc1OC | |
| kit,3,5T2,c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3 | |
| kit,3,CHEMBL1981725,CCN1CCN(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6ccccc6F)c5)nc5ccccn45)n3)cc2)CC1 | |
| kit,3,CHEMBL1651521,COc1cc(O)c2c(c1)CCC[C@H](O)CC(=O)/C=C\C[C@H](C)OC2=O | |
| kit,3,CHEMBL3356289,C=CC(=O)N1CCN(c2ccc(/C=C3\C(=O)Nc4ccccc43)cc2)CC1 | |
| kit,3,CHEMBL5776679,COc1cc2ncnc(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)c2cc1OCCCN1CCN(C)CC1 | |
| kit,3,CHEMBL4100222,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(N)c2ccccc12 | |
| kit,3,CHEMBL3923361,CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(Oc5ccccc5)ccc34)cc2)CC1 | |
| kit,3,CHEMBL4638611,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCOCC3)c2)cn1 | |
| kit,3,G65,Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C | |
| kit,3,CHEMBL4071683,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1C#Cc1ccc(N)nn1 | |
| kit,3,DB8,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC | |
| kit,3,CHEMBL5569009,Cc1cc(C(=O)Nc2cc(NC(=O)c3cc(-n4ccnc4C)cc(C(F)(F)F)c3)ccc2C)no1 | |
| kit,3,CHEMBL1765775,CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ncn1 | |
| kit,3,CHEMBL1172887,O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1 | |
| kit,3,CHEMBL496713,CCOC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1 | |
| kit,3,CHEMBL4638092,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(C(F)(F)F)c2)cn1 | |
| kit,3,P30,CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4n3)OCCN6CCOCC6 | |
| kit,3,CHEMBL6021454,Cc1ccc(CNC(=O)C2CN(c3nccn4nc(-c5ccc(C6(CO)CC6)cc5)cc34)C2)cc1 | |
| kit,3,CHEMBL5799194,COc1ccc(-c2cc3c(N4CC(C(=O)NCc5ccc(C)cc5)C4)ncnn3c2)cn1 | |
| kit,3,CHEMBL3915093,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12 | |
| kit,3,VGH,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4 | |
| kit,3,CHEMBL4858720,Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CO)C1 | |
| kit,3,CHEMBL4871511,CN1CC(COc2ccn3c(-c4cc(NCc5ccc(-c6cnn(C)c6)cc5)ncn4)cnc3c2)C1 | |
| kit,3,CHEMBL5996920,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(C(=O)N6CCCC6)cc5)cc34)C2)cc1 | |
| kit,3,C52,CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N | |
| kit,3,CHEMBL2430253,Cc1[nH]c2c(c1C(=O)N1CCC[C@H]1CN1CCCC1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 | |
| kit,3,CHEMBL1997623,Nc1n[nH]c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc12 | |
| kit,3,CHEMBL6049654,Fc1ccc(-c2cc3c(-c4ccc(NCc5ccc(C(F)(F)F)nc5)nc4)ncnc3[nH]2)cc1 | |
| kit,3,CHEMBL2158230,N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CCN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1 | |
| kit,3,CHEMBL3356290,O=C1Nc2ccccc2/C1=C/c1ccc(N2CCN(C(=O)CCCl)CC2)cc1 | |
| kit,3,CHEMBL3890985,O=C(Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12)c1ccc(N2CC(N3CCCC3)C2)cc1 | |
| kit,3,CHEMBL4065711,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c(F)c1I | |
| kit,3,353,CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N | |
| kit,3,CHEMBL511337,NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1 | |
| kit,3,CHEMBL2385195,COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5C(F)(F)F)c5ccccc5c4=O)cc3F)ccnc2cc1OCCCN1CCCC1 | |
| kit,3,7XR,CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6 | |
| kit,3,CHEMBL2332840,O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 | |
| kit,3,CHEMBL3809489,Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2 | |
| kit,3,CHEMBL2336023,Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1C#Cc1cnc2ccnn2c1 | |
| kit,3,CHEMBL1970083,Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 | |
| kit,3,CHEMBL450786,Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 | |
| kit,3,CHEMBL271188,COCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12 | |
| kit,3,CHEMBL2430198,Cc1[nH]c2c(c1C(=O)NCCc1ccccn1)CCC/C2=C1/C(=O)Nc2ccc(F)cc21 | |
| kit,3,CHEMBL5772265,COc1cc2c(N3CCN(c4ncc(Cc5ccccc5)cn4)CC3)ncnc2cc1OC(F)F | |
| kit,3,CHEMBL4642181,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccccc5)n4)c3)cc(C(F)(F)F)c2)cn1 | |
| kit,3,CHEMBL1835746,COc1ccccc1Nc1nc(N)n(-c2cc(NCCN(C)C)ncn2)n1 | |
| kit,3,CHEMBL4784002,Cn1cc(-c2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)cn1 | |
| kit,3,6GY,CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl | |
| kit,3,CHEMBL2403814,CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(-c2cccc([N+](=O)[O-])c2)n1 | |
| kit,3,CHEMBL5405436,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\CNc3ccc(F)cc32)c1C | |
| kit,3,CHEMBL4093459,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccn2ccnc2c1 | |
| kit,3,CHEMBL75232,Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.O=C(O)CCC(=O)O | |
| kit,3,CHEMBL3892244,CN1CCC(Nc2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)cc2)CC1 | |
| kit,3,Z6V,Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C | |
| kit,3,F8H,CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3 | |
| kit,3,CHEMBL378489,COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4)cc3)c2cc1OC | |
| kit,3,CHEMBL5882946,COc1cc(Nc2ccc3ncc(N4CCOCC4)nc3c2C#N)ccc1OCC1CC1 | |
| kit,3,CHEMBL347537,O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1 | |
| kit,3,CHEMBL2029436,C=CC(=O)Nc1cccc(N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1 | |
| kit,3,CHEMBL219998,COc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c(N)n[nH]c12 | |
| kit,3,CHEMBL4530082,CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4nc(C)nc(N5CCN(CC)CC5)n4)s3)cc2)no1 | |
| kit,3,CHEMBL4077028,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1ccc(OCc2ccccc2)cn1 | |
| kit,3,CHEMBL1642,CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | |
| kit,3,CHEMBL5760302,Cc1cc2c(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)ncnc2[nH]1 | |
| kit,3,CHEMBL3912313,Cc1ccc(-c2noc(CNC(=O)OC3(C)CC3)n2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL369908,Cc1cccc(NC(=O)Nc2ccc(-c3c(Cc4ccncc4)sc4ncnc(N)c34)cc2)c1 | |
| kit,3,CHEMBL205089,COc1cc2ncnc(Oc3ccc(NC(=O)NC4CCCCC4)cc3)c2cc1OC | |
| kit,3,CHEMBL403661,CCc1ccc(-c2c(-c3cnc(C)[nH]3)c(=O)[nH]c3ccc(Cl)cc23)cc1 | |
| kit,3,CHEMBL4473820,CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4cc(C#N)cs4)n[nH]3)cc2)CC1 | |
| kit,3,CHEMBL6023452,O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc3[nH]c(-c4ccncc4)cc23)CC1 | |
| kit,3,CHEMBL1996979,O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F | |
| kit,3,CHEMBL3326006,CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 | |
| kit,3,CHEMBL6012277,Cc1ccc(-c2cc3c(N4CCN(C(=O)Nc5ccc(OC(F)(F)F)cc5)CC4)ncnc3[nH]2)cn1 | |
| kit,3,CHEMBL3628796,COc1cc2ncnc(Nc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC | |
| kit,3,CHEMBL6007563,C[C@H](NC(=O)N1CCN(c2ncnc3[nH]c(-c4cnn(C)c4)cc23)CC1)c1ccc(F)cc1 | |
| kit,3,CHEMBL6059069,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(OC6CC6)cc5)cc34)C2)cc1 | |
| kit,3,CHEMBL352308,COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)ccnc2cc1OCCNCCO | |
| kit,3,CHEMBL259247,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncnc1 | |
| kit,3,CHEMBL2403821,CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(NC(=O)CCN5CCOCC5)cc34)cc2)n(-c2cccc(N)c2)n1 | |
| kit,3,CHEMBL3787112,Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1 | |
| kit,3,CHEMBL4640601,COc1ccc(-c2cnn3c(N)c(-c4ccccc4)c(OC4CCN(C)CC4)nc23)cc1OC | |
| kit,3,CHEMBL247792,O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(NCCc2cnc[nH]2)c1 | |
| kit,3,CHEMBL272938,Cc1cccc(NC(=O)Nc2ccc(-c3cncc4[nH]nc(N)c34)cc2)c1 | |
| kit,3,CHEMBL3966269,Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(N3CCCC3=O)ccn12 | |
| kit,3,CHEMBL2012519,COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O | |
| kit,3,CHEMBL2105756,COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC.Cl.O | |
| kit,3,CHEMBL3642832,Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)cc1Nc1nccc(-c2cccnc2)n1 | |
| kit,3,CHEMBL4776125,COc1cc2c(Oc3ccc(NC(=O)C(C)c4nnc(-c5ccc(F)cc5)o4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 | |
| kit,3,CHEMBL2203434,CCN1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1 | |
| kit,3,CHEMBL4473475,CCc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-c1cccc(-c2cnc3cnccn23)c1 | |
| kit,3,CHEMBL1835749,Nc1nc(Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nn1-c1ccccn1 | |
| kit,3,CHEMBL4448433,CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CCN(CC)CC5)ncn4)s3)cc2)no1 | |
| kit,3,324,CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F | |
| kit,3,CHEMBL400057,CN(C)c1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 | |
| kit,3,CHEMBL4279457,COc1cc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | |
| kit,3,CHEMBL2029988,COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC | |
| kit,3,CHEMBL4449189,O=C(CSc1nccc(Nc2ccc(N3CCOCC3)cc2)n1)c1ccc(F)cc1 | |
| kit,3,CHEMBL1908396,COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 | |
| kit,3,CHEMBL1765781,CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)n1 | |
| kit,3,CHEMBL563577,Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1[nH]cnc2ncnc1-2 | |
| kit,3,CHEMBL4589974,CN1CCN(Cc2ccc(C(=O)Nc3ncc(-c4cccnc4)s3)cc2)CC1.Cl | |
| kit,3,CHEMBL5200643,CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(O[C@H]4CCOC4)nn23)c1 | |
| kit,3,CHEMBL1721885,Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 | |
| kit,3,CHEMBL3628798,O=C(Nc1ccc(Nc2ncnc3sccc23)cc1)Nc1cccc(Br)c1 | |
| kit,3,CHEMBL3943797,O=C(Nc1n[nH]c2cc(OCCOCc3ccccc3)ccc12)c1ccc(NCCN2CCOCC2)cc1 | |
| kit,3,CHEMBL3608789,Cc1ccc([C@H](C)NC(=O)Nc2cccc(F)c2)cc1NC(=O)c1cnc2ccccn12 | |
| kit,3,CHEMBL5855105,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc(N)nc5)cc34)C2)cc1 | |
| kit,3,CHEMBL1965570,Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12 | |
| kit,3,CHEMBL489196,O=C(Nc1cccnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12 | |
| kit,3,CHEMBL5787628,Cn1cc(-c2cc3c(N4CC(C(=O)N[C@@H](CO)c5ccccc5)C4)ncnn3c2)cn1 | |
| kit,3,CHEMBL415047,Cc1ccc(NC(=O)NCc2ccc(-c3n[nH]c4c3Cc3cc(CN5CCN(C)CC5)ccc3-4)s2)cc1 | |
| kit,3,CHEMBL1765783,CNc1cc(F)cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)c1 | |
| kit,3,CHEMBL492266,Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)cncc2c1 | |
| kit,3,CHEMBL4094827,C#Cc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C | |
| kit,3,CHEMBL3922635,C[N+]1([O-])CCN(c2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)cc2)CC1 | |
| kit,3,CHEMBL5948243,Cc1ccc(-c2cc3c(N4CCN(c5nc6ccccc6[nH]5)CC4)ncnc3[nH]2)cn1 | |
| kit,3,CHEMBL4644718,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(-n2c(C)ccc2CN2CCN(C)CC2)cc1)c1ccccc1 | |
| kit,3,CHEMBL6019715,Cc1ccc(CNC(=O)C2CN(c3ncnn4cc(-c5ccc6c(c5)CNC6=O)cc34)C2)cc1 | |
| kit,3,CHEMBL391781,O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1NCc1ccncc1 | |
| kit,3,XIN,CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 | |
| kit,3,CHEMBL3823543,COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NCc1ccccc1 | |
| kit,3,CHEMBL3680623,CS(=O)(=O)CCN1CCC(c2ccc(OC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1 | |
| kit,3,CHEMBL2002165,CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 | |
| kit,3,CHEMBL3946811,COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | |
| kit,3,CHEMBL5966316,Cc1nc(NC(=O)N2CCC3(CCC3)C2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1 | |
| kit,3,CHEMBL1971943,Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12 | |
| kit,3,CHEMBL4077510,COCCNc1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)cn1 | |
| kit,3,CHEMBL1765715,Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Nc1nccc(-c2cccnc2)n1 | |
| kit,3,CHEMBL1258913,O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1 | |
| kit,3,CHEMBL3894450,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccncc2)CC1 | |
| kit,3,SKE,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F | |
| kit,3,CHEMBL253292,CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1 | |
| kit,3,CHEMBL404366,Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cncc21 | |
| kit,3,CHEMBL1988075,Cc1ccc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1 | |
| kit,3,CHEMBL3642836,Cc1ccc(C(=O)Nc2ccc(NC(=O)/C=C/CN(C)C)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 | |
| kit,3,CHEMBL2403879,Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2c1 | |
| kit,3,CHEMBL5748686,COc1cc2ncnc(N3CCN(c4ncc(Nc5ccccn5)cn4)CC3)c2cc1OC | |
| kit,3,CHEMBL205953,COc1cc2nccc(Oc3ccc(NC(=O)NC4CCCCC4)cc3)c2cc1OC | |
| kit,3,CHEMBL5430505,c1ccc(-c2ccc(CNc3ccnc(-c4cnc5ccccn45)n3)cc2)cc1 | |
| kit,3,CHEMBL566635,Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(NC(=O)CCN)cc3)nc21 | |
| kit,3,CHEMBL3321809,Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21 | |
| kit,3,647,c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F | |
| kit,3,CHEMBL5756470,Cc1cc(-c2cncc(-c3ccnc(Nc4cc(NC(=O)c5ccc(CN6CCNCC6)cc5)ccc4C)n3)c2)on1 | |
| kit,3,CHEMBL2403875,CC(C)(C)c1cc(NC(=O)Nc2cccc(Nc3ncnc4ccccc34)c2)n(-c2cccc(N)c2)n1 | |
| kit,3,CHEMBL223478,Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCN4CCOCC4)c4[nH]nc(N)c34)cc2)c1 | |
| kit,3,CHEMBL248258,NC(=S)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 | |
| kit,3,CHEMBL4082724,COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 | |
| kit,3,CHEMBL6051917,O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2ncnc3[nH]c(-c4ccc(F)cc4)cc23)c(F)c1 | |
| kit,3,CHEMBL6017016,COCCOc1cc2ncnc(-c3ccc(NS(C)(=O)=O)cc3F)c2cc1OCCOC | |
| kit,3,CHEMBL6062217,N#CC1(c2ccc(-c3cc4c(N5CCN(C(=O)Nc6ccc(OC(F)(F)F)cc6)CC5)ncnc4[nH]3)cc2)CC1 | |
| kit,3,CHEMBL373845,Cc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCN(C)CC4)c4[nH]nc(N)c34)cc2)c1 | |
| kit,3,CHEMBL1190711,COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC | |
| kit,3,CHEMBL265432,CN1CCN(c2ccc(NC(=O)c3ccc(C#N)o3)c(C3=CCCCC3)c2)CC1 | |
| kit,3,CHEMBL4638350,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4cccc5ccncc45)c3)cc(N3CCN(C)CC3)c2)cn1 | |
| kit,3,CHEMBL3982932,CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(OC/C=C/c5ccccc5)ccc34)cc2)CC1 | |
| kit,3,CHEMBL5742433,COc1cc(-c2cc3c(N4CCN(C(=O)N[C@@H](C)c5cccc(Cl)c5)C(C)(C)C4)ncnc3[nH]2)ccn1 | |
| kit,3,CHEMBL4456471,CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCO5)n[nH]3)cc2)CC1 | |
| kit,3,CHEMBL1085511,CC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4ccc(N5CCN(C)CC5)cc4)cnn3c2N)cc1 | |
| kit,3,CHEMBL5973611,COc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3F)c2cc1OC | |