ESSENCEDock_595Project / Actives /actives_table_KIF11.csv
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SMILES,Molecule Name,Target Name,Type
CN(C)CCC[C@@]3(c1ccccc1)CN(c2cc(C)ccc2F)N=C3C(C)=O,CHEMBL247044_active,KIF11,Active
CC(=O)C3=NN1[C@@H](COc2ccc(F)cc12)[C@@]3(CCCN4CCOCC4)c5ccccc5,CHEMBL398478_active,KIF11,Active
N[C@@H](C1CC1)C(=O)N3CC(c2cc(F)ccc2F)=C[C@H]3c4cccc(O)c4,CHEMBL206115_active,KIF11,Active
CC(=O)C3=NN1[C@@H](COc2ccc(F)cc12)[C@@]3(CCCN)c4ccccc4,CHEMBL250127_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(C[C@H](F)CN)c3ccccc3,CHEMBL400042_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(CCCN)c3ccccc3,CHEMBL241754_active,KIF11,Active
CN5CCN(CCC[C@@]4(c1ccccc1)[C@@H]3COc2ccc(F)cc2N3N=C4C(C)=O)CCC5=O,CHEMBL251142_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(CCCN3CC[C@H](F)C3)c4ccccc4,CHEMBL240704_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(CCCN3CC4CCC3C4)c5ccccc5,CHEMBL398396_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(CCCN3C[C@H]4C[C@@H]3CO4)c5ccccc5,CHEMBL240497_active,KIF11,Active
CC(=O)N5CCN(CCC[C@@]4(c1ccccc1)[C@@H]3COc2ccc(Cl)cc2N3N=C4C(C)=O)CC5,CHEMBL250126_active,KIF11,Active
CC(=O)C3=NN1[C@@H](COc2ccc(C)cc12)[C@@]3(CCCN4CCOCC4)c5ccccc5,CHEMBL399378_active,KIF11,Active
CN(C)CCC[C@@]4(c1ccccc1)[C@@H]3COc2ccc(Cl)cc2N3N=C4C(C)=O,CHEMBL429553_active,KIF11,Active
CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c3nc2cc(Cl)ccc2c(=O)n3Cc4ccccc4,CHEMBL436624_active,KIF11,Active
CCCC(=O)N3CCc1c([nH]c2ccc(C)cc12)C3c4c[nH]c5ccccc45,CHEMBL1163881_active,KIF11,Active
CC(C)[C@H](N)C(=O)N2CC(c1cc(F)ccc1F)=C[C@H]2c3cccc(O)c3,CHEMBL381526_active,KIF11,Active
CC(=O)C2=NN(c1cc(F)ccc1F)CC2(CCCN3CC4CC3CO4)c5ccccc5,CHEMBL246603_active,KIF11,Active
CC(C)(C)[C@H](O)C(=O)N2CC(c1cc(F)ccc1F)=C[C@H]2c3cccc(O)c3,CHEMBL262736_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(CCCN3CCCC3)c4ccccc4,CHEMBL427688_active,KIF11,Active
CN(C)CCC[C@@]3(c1ccccc1)CC(c2cc(F)ccc2F)=NN3C(C)=O,CHEMBL392148_active,KIF11,Active
CC(=O)C3=NN1[C@@H](COc2ccc(F)cc12)[C@@]3(CCCN4CCNC(=O)CC4)c5ccccc5,CHEMBL438876_active,KIF11,Active
CC(=O)N5CCN(CCC[C@@]4(c1ccccc1)[C@@H]3COc2ccc(F)cc2N3N=C4C(C)=O)CC5,CHEMBL250125_active,KIF11,Active
CN(C)CCC[C@@]4(c1ccccc1)[C@@H]3COc2ccc(F)cc2N3N=C4C(C)=O,CHEMBL250328_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(CCCN3CC(F)C3)c4ccccc4,CHEMBL240498_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(CCCN3CCOCC3)c4ccccc4,CHEMBL239415_active,KIF11,Active
CC(=O)C3=NN1[C@@H](COc2ccc(Cl)cc12)C3(CCCN4CCOCC4)c5ccccc5,CHEMBL250533_active,KIF11,Active
FC(F)(F)c3ccc(c2ccc1NC(=O)CCc1c2)cc3,CHEMBL1222153_active,KIF11,Active
N[C@@H](C1CC1)C(=O)N3CC(c2cc(F)ccc2F)=C[C@H]3c4ccccc4,CHEMBL204459_active,KIF11,Active
CC(=O)N4CCN(CCCC3(c1ccccc1)CN(c2cc(C)ccc2F)N=C3C(C)=O)CC4,CHEMBL443490_active,KIF11,Active
CC(C)c4ccc3N[C@@H](c1ccccc1)[C@@H]2CC[C@H](CNS(=O)(=O)CCCN(C)C)O[C@@H]2c3c4,CHEMBL1084143_active,KIF11,Active
CN(C)CCS(=O)(=O)NC[C@H]4CC[C@H]3[C@H](c1ccccc1)Nc2c(F)cc(Cl)cc2[C@H]3O4,CHEMBL1096003_active,KIF11,Active
CN(C)CCCC3(c1ccccc1)CN(c2cc(F)ccc2F)N=C3C(C)=O,CHEMBL246604_active,KIF11,Active
CN(C)C(=O)N2CC(c1cc(F)ccc1F)=C[C@@]2(CCCN)c3ccccc3,CHEMBL395332_active,KIF11,Active
CN(C1CCNCC1)C(=O)N3CC(c2cc(F)ccc2F)=C[C@H]3c4ccccc4,CHEMBL205437_active,KIF11,Active
CC(=O)N4CCN(CCC[C@@]3(c1ccccc1)CC(c2cc(F)ccc2F)=NN3C(C)=O)CC4,CHEMBL239414_active,KIF11,Active
O[C@@H](C1CC1)C(=O)N3CC(c2cc(F)ccc2F)=C[C@H]3c4cccc(O)c4,CHEMBL377596_active,KIF11,Active
CC(=O)N4CCN(CCC[C@@]3(c1ccccc1)CN(c2cc(F)ccc2F)N=C3C(C)=O)CC4,CHEMBL249882_active,KIF11,Active
CNC[C@H]4CC[C@H]3[C@H](c1ccccc1)Nc2c(F)cc(Br)cc2[C@H]3O4,CHEMBL1082248_active,KIF11,Active
NS(=O)(=O)Nc2ccc(c1ccc(C(F)(F)F)cc1)cc2F,CHEMBL243669_active,KIF11,Active
CC(=O)N4CCN(CCCC3(c1ccccc1)CN(c2cc(F)ccc2F)N=C3C(C)=O)CC4,CHEMBL248400_active,KIF11,Active
CC(=O)C2=NN(c1cc(F)ccc1F)CC2(CCCN3CCCC3)c4ccccc4,CHEMBL246422_active,KIF11,Active
CC(=O)N2N=C(c1cc(F)ccc1F)C[C@@]2(CCCN3CCC(F)(F)C3)c4ccccc4,CHEMBL400041_active,KIF11,Active
CN(CCCC3(c1ccccc1)CN(c2cc(F)ccc2F)N=C3C(C)=O)Cc4cc(C)no4,CHEMBL246000_active,KIF11,Active
CC(=O)C2=NN(c1cc(F)ccc1F)CC2(CCCN3CCOCC3)c4ccccc4,CHEMBL246001_active,KIF11,Active
CC(=O)C3=NN1[C@@H](COc2ccc(F)cc12)[C@@]3(CCCN4CCNCC4)c5ccccc5,CHEMBL401476_active,KIF11,Active
CNC[C@H]4CC[C@H]3[C@H](c1cccs1)Nc2ccc(C(C)(C)C)cc2[C@H]3O4,CHEMBL1077227_active,KIF11,Active
CC(=O)C2=NN(c1cc(F)ccc1F)CC2(CCCN3CC(F)C3)c4ccccc4,CHEMBL248244_active,KIF11,Active
CN(C1CCNCC1)C(=O)N3CC(c2cc(F)ccc2F)=CC3c4cccc(O)c4,CHEMBL206249_active,KIF11,Active
FC(F)(F)c5ccc4N[C@@H](c1ccccc1)[C@@H]3CC[C@H](Cn2cncn2)O[C@@H]3c4c5,CHEMBL1093088_active,KIF11,Active
NS(=O)(=O)Nc2ccc(c1ccc(C(F)(F)F)cc1)cc2,CHEMBL390629_active,KIF11,Active
NCCN3CCc1c([nH]c2ccc(Cl)cc12)C3c4cccc(O)c4,CHEMBL1163678_active,KIF11,Active
NC(=O)Nc2ccc(c1ccc(C(F)(F)F)cc1)cc2F,CHEMBL243668_active,KIF11,Active
CCc4ccc3[nH]c2C(c1cccc(O)c1)N(C(=O)CCN)CCc2c3c4,CHEMBL590124_active,KIF11,Active
CNC[C@H]5CC[C@H]4[C@H](c1ccccc1)Nc3ccc(C2CC2)cc3[C@H]4O5,CHEMBL1083836_active,KIF11,Active
CC(=O)C2=NN(c1cc(F)ccc1F)CC2(CCCN3CCS(=O)(=O)CC3)c4ccccc4,CHEMBL401006_active,KIF11,Active
NCCN(C[C@H]4CC[C@H]3[C@H](c1ccccc1)Nc2ccc(C(F)(F)F)cc2[C@H]3O4)c5ccccc5,CHEMBL1093087_active,KIF11,Active
Cc4ccc3[nH]c2C(c1cccc(O)c1)N(C(=O)CCN)CCc2c3c4,CHEMBL590123_active,KIF11,Active
CC(C)(C)c4ccc3N[C@@H](c1cccs1)[C@@H]2CCCO[C@@H]2c3c4,CHEMBL1078998_active,KIF11,Active
NCCCC3(c1ccccc1)CC(c2cc(F)ccc2F)=NN3C(=O)N4CCCC4,CHEMBL382790_active,KIF11,Active
NS(=O)(=O)Nc3ccc(c2ccc1OC(F)(F)Oc1c2)cc3,CHEMBL242181_active,KIF11,Active
NS(=O)(=O)Nc2ccc(c1ccc(C(F)(F)F)c(F)c1)cn2,CHEMBL470767_active,KIF11,Active
NCCC(=O)N3CCc1c([nH]c2ccc(Cl)cc12)C3c4c[nH]c5ccccc45,CHEMBL1164477_active,KIF11,Active
CCC(N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c3nc2cc(Cl)ccc2c(=O)n3Cc4ccccc4,CHEMBL1164552_active,KIF11,Active
CN(C1CCN(C(C)=O)CC1)C(=O)N3CC(c2cc(F)ccc2F)=C[C@H]3c4ccccc4,CHEMBL208422_active,KIF11,Active
Cc5ccc4[nH]c3C(c1cccc(O)c1)N(C(=O)c2ccc(N)cc2)CCc3c4c5,CHEMBL1163584_active,KIF11,Active
CC(=O)N3CCc1c([nH]c2ccc(C)cc12)C3c4c[nH]c5ccccc45,CHEMBL1164373_active,KIF11,Active
NCCCC3(c1ccccc1)CC(c2cc(F)ccc2F)=NN3C(=O)N4CCC4,CHEMBL210264_active,KIF11,Active
Cc5ccc(C(=O)N(CCCN)C(C1CC1)c3nn2c(Cl)ccc2c(=O)n3Cc4ccccc4)cc5,CHEMBL213184_active,KIF11,Active
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c3nn2c(Cl)ccc2c(=O)n3Cc4ccccc4,CHEMBL213686_active,KIF11,Active
CCC(N(CCCN)C(=O)c1ccc(Cl)cc1)c3nn2c(Cl)ccc2c(=O)n3Cc4ccccc4,CHEMBL209815_active,KIF11,Active
Cc5ccc(C(=O)N(CCN)C[C@H]4CC[C@H]3[C@H](c1ccccc1)Nc2ccc(C(F)(F)F)cc2[C@H]3O4)cc5,CHEMBL1084431_active,KIF11,Active
NS(=O)(=O)Nc3ccc(c2ccc1OC(F)(F)C(F)(F)Oc1c2)cc3,CHEMBL397673_active,KIF11,Active
CCC(N(CCCN)C(=O)c1ccc(C)cc1)c3nn2ccc(Cl)c2c(=O)n3Cc4ccccc4,CHEMBL535161_active,KIF11,Active
Nc5ccc(C(=O)N3CCc1c([nH]c2ccc(Cl)cc12)C3c4cccc(O)c4)cc5,CHEMBL1164476_active,KIF11,Active
NCCCC3(c1ccccc1)CC(c2cc(F)ccc2F)=NN3C(=O)N4CCCCC4,CHEMBL381985_active,KIF11,Active
NCCCCCN5C(=O)[C@@H]4Cc1c([nH]c2ccccc12)[C@@H](c3cccc(O)c3)N4C5=O,CHEMBL399296_active,KIF11,Active
CCNC(=O)N2N=C(c1cc(F)ccc1F)CC2(CCCCNCc3ccccc3)c4ccccc4,CHEMBL207993_active,KIF11,Active
Cc5ccc4[nH]c3C(c1cccc(O)c1)N(C(=O)CCN2CCCCC2)CCc3c4c5,CHEMBL594458_active,KIF11,Active
Cc5ccc(C(=O)N(CCCN)C(C1CC1)c3nn2ccc(Cl)c2c(=O)n3Cc4ccccc4)cc5,CHEMBL380294_active,KIF11,Active
CCN(CC)C(=O)c3c(NC(=O)c1cccs1)sc2CCC(C)Cc23,CHEMBL388313_active,KIF11,Active
CN3C(C)=C(C(=O)c1ccccc1)[C@@H](c2cccc(O)c2)NC3=S,CHEMBL522806_active,KIF11,Active
CCNC(=O)N2N=C(c1cc(F)ccc1F)CC2(CCCCN3CC4CC3C=C4)c5ccccc5,CHEMBL378497_active,KIF11,Active
CC(C)(C)c4ccc3N[C@@H](c1ccsc1)[C@@H]2CCCO[C@@H]2c3c4,CHEMBL1084115_active,KIF11,Active
NCCCC3(c1ccccc1)CC(c2cc(F)ccc2F)=NN3C(=O)N4CCOCC4,CHEMBL210741_active,KIF11,Active
N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(O)=O,CHEMBL392695_active,KIF11,Active
COc3ccc(C(SC[C@H](N)C(O)=O)(c1ccccc1)c2ccccc2)cc3,CHEMBL392369_active,KIF11,Active
CC1(C)CC(=O)C2=C(C1)NC(=S)NC2c3cccc(O)c3,CHEMBL394880_active,KIF11,Active
CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@H]2c3cccc(O)c3,CHEMBL1213955_active,KIF11,Active
N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccc(C(F)(F)F)cc3)C(O)=O,CHEMBL232133_active,KIF11,Active
NCCC(=O)N3CCc1c([nH]c2ccc(Cl)cc12)C3C4CCCCC4,CHEMBL591330_active,KIF11,Active
CC(C)(C)c3ccc2[nH]c1ccccc1c2c3,CHEMBL1170621_active,KIF11,Active
FC(F)(F)c1ccc3c(c1)[nH]c2ccccc23,CHEMBL1173704_active,KIF11,Active
CC(C)(C)c4ccc3N[C@@H](c1ccc(Cl)s1)[C@@H]2CCCO[C@@H]2c3c4,CHEMBL1084116_active,KIF11,Active
CC(C)(C)c1ccc3c(c1)[nH]c2ccccc23,CHEMBL1173703_active,KIF11,Active
CN(C)C(=O)N3CC(c1cccc(O)c1)c2ccc(C)c(C)c2C3,CHEMBL380367_active,KIF11,Active
CN(C)C(=O)N3CC(c1cccc(O)c1)c2ccc(I)cc2C3,CHEMBL382364_active,KIF11,Active
NS(=O)(=O)Nc3ccc(c2ccc1OC(F)(F)OC(F)(F)c1c2)cc3,CHEMBL244329_active,KIF11,Active
NC(=O)Nc3ccc(c2ccc(C1(C(F)(F)F)N=N1)cc2)cc3,CHEMBL1222255_active,KIF11,Active
CCNC(=O)N2N=C(c1cc(F)ccc1F)CC2(CCCCNC(=O)c3ccccn3)c4ccccc4,CHEMBL425420_active,KIF11,Active
CC(C)(C)c2cccc(c1ccncc1)c2,CHEMBL449439_active,KIF11,Active
CCN(CC)C(=O)c3c(NC(=O)c1cccs1)sc2CCCCc23,CHEMBL228369_active,KIF11,Active
CC3(C)Oc2ccc(c1ccc(NS(N)(=O)=O)cc1)cc2O3,CHEMBL242182_active,KIF11,Active
CN3C(C)=C(C(=O)c1ccccc1)[C@H](c2cccc(O)c2)NC3=S,CHEMBL491384_active,KIF11,Active
CSc4ccc(Nc2nc1cc(C(N)=O)ccc1n2Cc3ccccc3C(F)(F)F)cc4,CHEMBL561696_active,KIF11,Active
CC(C)(C)c4ccc3N[C@@H](c1nccs1)[C@@H]2CCCO[C@@H]2c3c4,CHEMBL1084391_active,KIF11,Active
O=C(Nc2sc1CCCCc1c2C(=O)N3CCCCC3)c4cccs4,CHEMBL390303_active,KIF11,Active
CCNC(=O)N2N=C(c1cc(F)ccc1F)CC2(CCCCNC(=O)c3ncc[nH]3)c4ccccc4,CHEMBL209310_active,KIF11,Active
CN(C)C(=O)N4CC(c1cccc(O)c1)c3ccc2CCOc2c3C4,CHEMBL381794_active,KIF11,Active
CCNC(=O)N2N=C(c1cc(F)ccc1F)CC2(CCCCNC(=O)c3c[nH]cn3)c4ccccc4,CHEMBL208864_active,KIF11,Active
NS(=O)(=O)Nc2ccc(c1ccc(C(F)(F)F)cn1)cc2,CHEMBL470776_active,KIF11,Active
Oc5cccc(C2N(Cc1ccccc1)CCc3c2[nH]c4ccc(Cl)cc34)c5,CHEMBL1163892_active,KIF11,Active
CCCCN5C(=O)[C@@H]4Cc1c([nH]c2ccccc12)[C@@H](c3cccc(O)c3)N4C5=O,CHEMBL252340_active,KIF11,Active
Oc5cccc(C2N(C(=O)CC1CCNCC1)CCc3c2[nH]c4ccc(Cl)cc34)c5,CHEMBL590855_active,KIF11,Active
CCNC(=O)N2N=C(c1cc(F)ccc1F)CC2(CCCCNC(=O)c3ccccc3)c4ccccc4,CHEMBL208346_active,KIF11,Active
CN5CCCC(C(=O)N3CCc1c([nH]c2ccc(C)cc12)C3c4cccc(O)c4)C5,CHEMBL594459_active,KIF11,Active
Cc5ccc(C(=O)N(CCC(N)=O)C(C1CC1)c3nn2c(Cl)ccc2c(=O)n3Cc4ccccc4)cc5,CHEMBL380186_active,KIF11,Active