CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C CHEMBL2409175 Kd 0.00491 nM
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN CHEMBL3103192 Kd 0.00633 nM
CCN1c2cc(S(=O)(=O)O)ccc2/C(=C\C=C\C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCOc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)O CHEMBL4089961 pKd 0.01288 nM
NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCOc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)O CHEMBL4077554 pKd 0.03162 nM
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN(C)C CHEMBL3103191 Kd 0.0482 nM
NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O CHEMBL4099729 pKd 0.09333 nM
[C-]#[N+]c1cnc2c(Nc3nc(C)n(C)n3)nc(Nc3ccc4c(c3)c(C#N)nn4C)nn12 CHEMBL3699289 IC50 0.13 nM
COC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@@H]1F CHEMBL3699277 IC50 0.14 nM
Cn1nc(C#N)c2cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)ccc21 CHEMBL3699234 IC50 0.15 nM
N#Cc1cc(CO)c(Cl)c(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1 CHEMBL3699295 IC50 0.16 nM
O=C(O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCNc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)O CHEMBL4075338 pKd 0.1622 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(O)C2)c1 CHEMBL3699235 IC50 0.17 nM
COC1CCN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C1 CHEMBL3699253 IC50 0.21 nM
CC(=O)N1CCC(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 CHEMBL3699266 IC50 0.21 nM
CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C[C@@H](C)O)CC2)nn2c(C#N)cnc12 CHEMBL3699292 IC50 0.22 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NC3CCS(=O)(=O)C3)CC2)c1 CHEMBL3699244 IC50 0.22 nM
C=Cc1cc(C#N)cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c1Cl CHEMBL3699294 IC50 0.23 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(NN2CCOCC2)c1 CHEMBL3699237 IC50 0.23 nM
CS(=O)(=O)C1CCN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C1 CHEMBL3699252 IC50 0.24 nM
CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C#N)c3n2)c1 CHEMBL398149 Ki 0.26 nM
CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C[C@H](C)O)CC2)nn2c(C#N)cnc12 CHEMBL3699291 IC50 0.27 nM
COC(=O)N[C@@H]1CN(C2CN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C[C@H]1C CHEMBL3699254 IC50 0.27 nM
COC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1OP(=O)(O)O CHEMBL3699276 IC50 0.27 nM
CC(=O)N1CC(N2CCC(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1 CHEMBL3699280 IC50 0.28 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCN(C3CCOC3)CC2)c1 CHEMBL3699238 IC50 0.29 nM
[C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCN(C5COC5)CC(F)C4)c3Cl)nn12 CHEMBL3699278 IC50 0.29 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CC(N3CC(O)C3)C2)c1 CHEMBL3699255 IC50 0.3 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(N[C@H]3C[C@@H](O)C3)CC2)c1 CHEMBL3699250 IC50 0.3 nM
C[C@@H](O)CN1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 CHEMBL3699239 IC50 0.3 nM
CN1CC=C(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 CHEMBL3699262 IC50 0.31 nM
NCCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C(=O)O)cc2)[se]1)C(=O)O CHEMBL4162173 Kd 0.34 nM
CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1 CHEMBL230354 Ki 0.35 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 CHEMBL1230165 Ki 0.38 nM
[C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CC(N5CCN(C)CC5)C4)c3F)nn12 CHEMBL3699287 IC50 0.39 nM
CCN1c2cc(S(=O)(=O)O)ccc2/C(=C\C=C\C=C\C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c21)C(=O)O CHEMBL4075701 Kd 0.4 nM
CN(C)c1ccc2c(-c3ccc(C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)Nc4ncc(-c5ccc(C(=O)O)cc5)s4)C(=O)O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 CHEMBL4169451 Kd 0.4 nM
COC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1O CHEMBL3699256 IC50 0.41 nM
O=C(O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCOc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)O CHEMBL4069112 pKd 0.4169 nM
NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c21)C(=O)O CHEMBL4061407 Kd 0.5 nM
[C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CC[C@H](NC(=O)OC)[C@@H](O)C4)c3Cl)nn12 CHEMBL3699282 IC50 0.52 nM
CCN1c2cc(S(=O)(=O)O)ccc2/C(=C\C=C\C=C\C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCOc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O CHEMBL4076226 pKd 0.5495 nM
NCCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C(=O)O)cc2)s1)C(=O)O CHEMBL4177303 Kd 0.58 nM
NCCCC[C@H](NC(=O)CCCCCCCCn1c(=O)c2ccncc2c2ccc(C(=O)O)cc21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O CHEMBL4077233 pKd 0.7079 nM
COC(=O)N[C@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@@H]1O CHEMBL3699257 IC50 0.72 nM
CN(C)c1ccc2c(-c3ccc(C(=O)NCCCC[C@@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)Nc4ncc(-c5ccc(C(=O)O)cc5)[se]4)C(=O)O)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 CHEMBL4172847 Kd 0.85 nM
COC(=O)N[C@@H]1CN(C2CCN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C[C@@H]1C CHEMBL3699251 IC50 1.31 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(NC2CCN(C3COC3)CC2)c1 CHEMBL3699297 IC50 1.32 nM
[C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CCC(NC[C@@H](C)O)CC4)c3Cl)nn12 CHEMBL3699285 IC50 1.33 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(C3CC(CO)(CO)C3)CC2)c1 CHEMBL3699264 IC50 1.34 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(C(=O)OC3COC3)CC2)c1 CHEMBL3699267 IC50 1.35 nM
COC(=O)N1CCC(N2CCN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)CC1 CHEMBL3699240 IC50 1.35 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CC[C@@H](NC(=O)OC3COC3)[C@H](O)C2)c1 CHEMBL3699259 IC50 1.36 nM
CCNc1nc(Nc2cc(C#N)cc(N3CC[C@@H]4[C@@H](C3)OCCN4C3COC3)c2Cl)nn2c(C#N)cnc12 CHEMBL3699286 IC50 1.37 nM
[C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCC(NC5CC(F)(F)C5)CC4)c3Cl)nn12 CHEMBL3699242 IC50 1.37 nM
CN1CCN(CC(=O)N[C@@H]2CCN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C[C@H]2O)CC1 CHEMBL3699260 IC50 1.37 nM
CCNc1nc(Nc2cc(C#N)cc(N3CCN(C4COC4)CC3)c2Cl)nn2c(C#N)cnc12 CHEMBL3699296 IC50 1.39 nM
CCNc1nc(Nc2cc(C#N)cc(N3CCN(CC(F)F)CC3)c2Cl)nn2c(C#N)cnc12 CHEMBL3699303 IC50 1.39 nM
CN1CC2(C1)CN(c1cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c1Cl)C2 CHEMBL3699236 IC50 1.4 nM
[C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCN(C5COC5)C(C(=O)N5CCOCC5)C4)c3Cl)nn12 CHEMBL3699279 IC50 1.4 nM
CC1(N2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)COC1 CHEMBL3699274 IC50 1.42 nM
[C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(C4CCNCC4)c3Cl)nn12 CHEMBL3699284 IC50 1.42 nM
CCNc1nc(Nc2ccc3c(c2)c(C#N)nn3C2CCN(C3COC3)CC2)nn2c(C#N)cnc12 CHEMBL3699293 IC50 1.44 nM
CS(=O)(=O)CCN1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 CHEMBL3699241 IC50 1.44 nM
CN1CC(N2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1 CHEMBL3699269 IC50 1.5 nM
COCCOC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1O CHEMBL3699258 IC50 1.53 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NC3CC(C#N)C3)CC2)c1 CHEMBL3699245 IC50 1.56 nM
O=C(O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCOc1nc2cc(C(=O)O)ccc2c2cnccc12)C(=O)O CHEMBL4091080 Kd 1.57 nM
CC(=O)Nc1cccc(Nc2nc(NC3CCC3)n3ncc(C#N)c3n2)c1 CHEMBL230462 Ki 1.9 nM
O=C(O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCCn1c(=O)c2ccncc2c2ccc(C(=O)O)cc21)C(=O)O CHEMBL4070115 Kd 2.38 nM
CCN1c2cc(S(=O)(=O)O)ccc2/C(=C\C=C\C=C\C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C1(C)CCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCn1c(=O)c2ccncc2c2ccc(C(=O)O)cc21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O CHEMBL4072540 pKd 2.399 nM
O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccncc12 CHEMBL1652704 IC50 3.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 CHEMBL1652737 IC50 3.0 nM
CC(C)Nc1ccc2ccn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1 CHEMBL4225287 IC50 3.0 nM
O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1 CHEMBL1999931 pKi 3.162 nM
COC(=O)N[C@H]1CN(c2cc(C(F)F)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1OC CHEMBL3699268 IC50 3.83 nM
N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1 CHEMBL1987034 pKi 3.981 nM
COc1cc(C=C2SC(=O)NC2=O)ccc1O CHEMBL2003286 pKi 3.981 nM
COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC CHEMBL1241473 pKi 3.981 nM
CC(=O)Nc1ccc2c(c1)N(c1cc(NC3CC3)n3ncc(C#N)c3n1)CC2 CHEMBL2062566 IC50 4.0 nM
CC(=O)Nc1ccc2ccn(-c3cc(NC4COC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062571 IC50 4.0 nM
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@@H](N(C)C)C1 CHEMBL3808583 IC50 4.0 nM
COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 CHEMBL1652706 IC50 4.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccncc12 CHEMBL1652707 IC50 4.0 nM
N#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 CHEMBL1652738 IC50 4.0 nM
Nc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL1682287 IC50 4.0 nM
CCC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C CHEMBL5283179 IC50 4.2 nM
[C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CC[C@@H](NC(=O)OC)[C@H](O)C4)c3Cl)nn12 CHEMBL3699281 IC50 4.71 nM
N#Cc1cnn2c(Nc3ccccc3)nc(NCc3ccc(Cl)cc3)nc12 CHEMBL230347 Ki 5.0 nM
Cc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1 CHEMBL231492 Ki 5.0 nM
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCC[C@@H](N)C1 CHEMBL3808817 IC50 5.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccncc12 CHEMBL1652708 IC50 5.0 nM
O=C(O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ccncc12 CHEMBL3700416 IC50 5.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccncc12 CHEMBL3700418 IC50 5.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4F)n3)c2c1 CHEMBL4227817 IC50 5.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1 CHEMBL4228654 IC50 5.0 nM
COc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O CHEMBL2002407 pKi 5.012 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(CCC(F)(F)F)CC2)c1 CHEMBL3699265 IC50 5.87 nM
O=C(O)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCn1c(=O)c2ccncc2c2ccc(C(=O)O)cc21)C(=O)O CHEMBL4067866 pKd 5.888 nM
CC(=O)N1CCc2ccc(Nc3cc(NC4CC4)n4ncc(C#N)c4n3)cc21 CHEMBL2409173 IC50 6.0 nM
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@H](N(C)C)C1 CHEMBL3808911 IC50 6.0 nM
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCCN(C)C CHEMBL3810318 IC50 6.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc12 CHEMBL1652697 IC50 6.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ncncc12 CHEMBL1682281 IC50 6.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ncncc12 CHEMBL1682282 IC50 6.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cncnc23)c1 CHEMBL1682283 IC50 6.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NC3CC3)ncc12 CHEMBL3700453 IC50 6.0 nM
Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 CHEMBL3700457 IC50 6.0 nM
N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C(F)F)cc(N4CCC(C5COC5)CC4)c3Cl)nn12 CHEMBL3699275 IC50 6.04 nM
CN1CC(CN2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1 CHEMBL3699271 IC50 6.16 nM
O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1 CHEMBL2003638 pKi 6.31 nM
CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 CHEMBL1969264 pKi 6.31 nM
N#Cc1cnn2c(Nc3ccccc3)nc(N3CCN(c4ccccn4)CC3)nc12 CHEMBL230246 Ki 7.0 nM
CS(=O)(=O)Cc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062579 IC50 7.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ncncc12 CHEMBL1649770 IC50 7.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ccncc12 CHEMBL1652710 IC50 7.0 nM
O=C(O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ccncc12 CHEMBL3700417 IC50 7.0 nM
Nc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL3700437 IC50 7.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cn4)n3)c2c1 CHEMBL4228363 IC50 7.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)c(F)c4)n3)c2c1 CHEMBL4224859 IC50 7.0 nM
O=c1oc2c(Br)c(O)ccc2c2ccc(O)cc12 CHEMBL4465651 Ki 7.0 nM
[C-]#[N+]c1cnc2c(Nc3nc(C)n(C)n3)nc(Nc3ccc4c(c3)c(C#N)nn4C[C@@H](C)O)nn12 CHEMBL3699290 IC50 7.54 nM
CC(=O)Nc1cccc(Nc2nc(NCCc3ccccc3)n3ncc(C#N)c3n2)c1 CHEMBL230353 Ki 8.0 nM
N#Cc1cnn2c(Nc3ccccc3)nc(NCC3CCCCC3)nc12 CHEMBL438303 Ki 8.0 nM
[C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C(F)F)cc(N4CCN(C5COC5)CC4)c3Cl)nn12 CHEMBL3699288 IC50 8.0 nM
CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(-c3ccc(C(=O)O)c(O)c3)c2n1 CHEMBL4793819 IC50 8.0 nM
CC(C)(C)[Si](C)(C)O[C@@H]1CC(N2CCC(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)CC[C@H]1N CHEMBL3699263 IC50 8.54 nM
CN1C(C)(C)CC(Oc2cc(F)c(C#N)cc2Nc2nc(NC3CC3)c3ncc(C#N)n3n2)CC1(C)C CHEMBL3699300 IC50 8.62 nM
O=C(O)c1ccc2c(c1)[nH]c(=O)c1ccncc12 CHEMBL3696944 Kd 8.9 nM
COc1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1OC CHEMBL231590 Ki 9.0 nM
CCN(CC)CCN(C)c1ccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)cc1NC(C)=O CHEMBL3809620 IC50 9.0 nM
CC(=O)Nc1cccc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)c1 CHEMBL3808764 IC50 9.0 nM
O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ccncc12 CHEMBL1652703 IC50 9.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NC)nc23)c1 CHEMBL3700434 IC50 9.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1nc(NC3CC3)ncc12 CHEMBL1682297 IC50 9.0 nM
COC1CN(C2CN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)C2)C1 CHEMBL3699270 IC50 9.61 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(OC2CCNCC2)cc1F CHEMBL3699302 IC50 9.8 nM
O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1 CHEMBL244378 pKi 10.0 nM
CC(=O)Nc1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062563 IC50 10.0 nM
CC(=O)N(C)c1ccc2ccn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062577 IC50 10.0 nM
COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](NC(=O)C(C)(C)O)CC3)c3c(N)ncnn23)ccn1 CHEMBL3681202 IC50 10.0 nM
COc1cc(-c2cc(C(=O)N[C@H]3CC[C@@H](CO)CC3)c3c(N)ncnn23)ccn1 CHEMBL3681203 IC50 10.0 nM
CCN1CCCC1CNC(=O)[C@H]1CC[C@H](NC(=O)c2cc(-c3ccnc(OC)c3)n3ncnc(N)c23)CC1 CHEMBL3681207 IC50 10.0 nM
COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)c3c(N)ncnn23)ccn1 CHEMBL3681205 IC50 10.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncncc12 CHEMBL1682280 IC50 10.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCCO)ncc12 CHEMBL3700482 IC50 10.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCCOC)nc23)c1 CHEMBL3700431 IC50 10.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(NC3CC3)ncc12 CHEMBL1682292 IC50 10.0 nM
CCNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL1682290 IC50 10.0 nM
CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C)c3n2)c1 CHEMBL230568 Ki 11.0 nM
N#Cc1cnn2c(Nc3ccccc3)nc(N3CCc4ccccc4C3)nc12 CHEMBL230136 Ki 11.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1ncncc12 CHEMBL1682285 IC50 11.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1ccncc12 CHEMBL3700458 IC50 11.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCC4CCCO4)nc23)c1 CHEMBL3700443 IC50 11.0 nM
N#Cc1cnn2c(Nc3ccccc3)nc(NC3Cc4ccccc4C3)nc12 CHEMBL230456 Ki 12.0 nM
CC(C)CCNc1nc(Nc2ccccc2)n2ncc(C#N)c2n1 CHEMBL389765 Ki 13.0 nM
Cn1c(SCC(=O)O)nc2c(Br)c(Br)c(Br)c(Br)c21 CHEMBL1928905 Ki 13.0 nM
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N(C)CCN1CC(F)(F)C1 CHEMBL3809094 IC50 13.0 nM
CC1(C)CC(Oc2cc(F)c(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)cc2C#N)CC(C)(C)N1 CHEMBL3699299 IC50 13.06 nM
N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C(F)F)cc(N4CCN(C5(CS(=O)(=O)c6ccccc6)COC5)CC4)c3Cl)nn12 CHEMBL3699273 IC50 13.86 nM
CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccc(NS(C)(=O)=O)c5)c4n3)cc2)CC1 CHEMBL4846921 IC50 13.9 nM
N#Cc1cnn2c(Nc3ccccc3)nc(N3CCCC3)nc12 CHEMBL388042 Ki 14.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3OC)s2)cc1 CHEMBL3758895 IC50 14.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3F)s2)cc1 CHEMBL3759871 IC50 14.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nn3)s2)cc1 CHEMBL3758317 IC50 14.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cn3)s2)cc1 CHEMBL3759755 IC50 14.0 nM
CNc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12 CHEMBL3700477 IC50 14.0 nM
Nc1ncc2c(n1)c(Nc1cccc(C(F)(F)F)c1)nc1cc(C(=O)O)ccc12 CHEMBL3700480 IC50 14.0 nM
N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ccccc3)nc12 CHEMBL396230 Ki 15.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccn3)s2)cc1 CHEMBL3758606 IC50 15.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCCc3ccccc3)s2)cc1 CHEMBL3760009 IC50 15.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3Oc3ccccc3)s2)cc1 CHEMBL3758519 IC50 15.0 nM
CCCNc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12 CHEMBL3700476 IC50 15.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4Cl)n3)c2c1 CHEMBL4227886 IC50 15.0 nM
N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C(F)F)cc(N4CCN(C5(C#N)COC5)CC4)c3Cl)nn12 CHEMBL3699272 IC50 15.25 nM
COc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC CHEMBL1991078 pKi 15.85 nM
CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1 CHEMBL1978448 pKi 15.85 nM
CC(=O)Nc1ccc2ccn(-c3cc(Nc4ccn(C)n4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062570 IC50 16.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3C#N)s2)cc1 CHEMBL3759349 IC50 16.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3Cl)s2)cc1 CHEMBL3759512 IC50 16.0 nM
O=C(O)c1ccc2c(c1)nc(NCCCc1ccccc1)c1ccncc12 CHEMBL1652705 IC50 16.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1ccncc12 CHEMBL1652701 IC50 16.0 nM
CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(Br)c3n2)c1 CHEMBL230673 Ki 17.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3Br)s2)cc1 CHEMBL3758777 IC50 17.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)nc3)s2)cc1 CHEMBL3760043 IC50 17.0 nM
O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl CHEMBL105442 IC50 17.0 nM
CC(=O)Nc1ccc2ccn(-c3cc(NCCCN4CCCC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062576 IC50 18.0 nM
CNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12 CHEMBL3700415 IC50 18.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc12 CHEMBL3700435 IC50 18.0 nM
CNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL1682288 IC50 18.0 nM
O=C(O)c1ccc2c(c1)nc(NCc1cccnc1)c1nc(NC3CC3)ncc12 CHEMBL3700461 IC50 18.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccccc3)s2)cc1 CHEMBL3758270 IC50 19.0 nM
CN(C)CCNc1nc2cc(C(=O)O)ccc2c2cnccc12 CHEMBL1652698 IC50 19.0 nM
COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O CHEMBL2000354 pKi 19.95 nM
COc1cc(-c2cc(C(=O)NC[C@H]3CC[C@H](O)CC3)c3c(N)ncnn23)ccn1 CHEMBL3681204 IC50 20.0 nM
COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](NC(=O)C(C)(C)CN4CCCC4)CC3)c3c(N)ncnn23)ccn1 CHEMBL3681208 IC50 20.0 nM
COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](NC(=O)C4(CN)CC4)CC3)c3c(N)ncnn23)ccn1 CHEMBL3681200 IC50 20.0 nM
CCOC(=O)NC1CCC(NC(=O)c2cc(-c3ccnc(OC)c3)n3ncnc(N)c23)CC1 CHEMBL3681194 IC50 20.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3)s2)cc1 CHEMBL2087023 IC50 20.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NCCO)ncc12 CHEMBL3700424 IC50 20.0 nM
CNc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL3700436 IC50 20.0 nM
CC(C)Nc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12 CHEMBL3700485 IC50 20.0 nM
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 CHEMBL6246 Ki 20.0 nM
COCCNC1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 CHEMBL3699249 IC50 20.88 nM
O=C(O)CCNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL3700450 IC50 21.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ncncc12 CHEMBL5288335 IC50 21.0 nM
CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)cc1 CHEMBL231591 Ki 23.0 nM
Nc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12 CHEMBL3700475 IC50 23.0 nM
[C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3nc(C#N)ncc3Cl)nn12 CHEMBL3699304 IC50 23.09 nM
CCN1CCN(c2nc(Nc3ccccc3)n3ncc(C#N)c3n2)CC1 CHEMBL230137 Ki 24.0 nM
O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2)[nH]1 CHEMBL526133 pKi 25.12 nM
O=C(O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1 CHEMBL396523 pKi 25.12 nM
CN1C(C)(C)CC(Oc2cc(F)c(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)cc2C#N)CC1(C)C CHEMBL3699298 IC50 25.51 nM
CC(=O)Nc1ccc2cnn(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062564 IC50 26.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3ccc(Cl)cc3)s2)cc1 CHEMBL3759193 IC50 26.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NCCCO)ncc12 CHEMBL3700425 IC50 26.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(Nc3ccccc3)ncc12 CHEMBL3700455 IC50 26.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4csc(C(=O)O)c4)n3)c2c1 CHEMBL4228394 IC50 26.0 nM
CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2C CHEMBL2062580 IC50 27.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CC3)ncc12 CHEMBL1682293 IC50 27.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(NCc3cccnc3)ncc12 CHEMBL3700471 IC50 27.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCC4CC4)nc23)c1 CHEMBL3700444 IC50 27.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3COc3ccccc3)s2)cc1 CHEMBL3760064 IC50 28.0 nM
NC(=O)CCNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL3700449 IC50 28.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700521 IC50 28.0 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NCC(F)(F)F)CC2)c1 CHEMBL3699246 IC50 29.89 nM
CC(=O)Nc1ccc2ccn(-c3cc(NCCCCO)n4ncc(C#N)c4n3)c2c1 CHEMBL2062572 IC50 30.0 nM
CC(=O)Nc1ccc2ccn(-c3cc(NCCN4CCOCC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062573 IC50 30.0 nM
CC(=O)Nc1ccc2ccn(-c3cc(NCCCN(C)C)n4ncc(C#N)c4n3)c2c1 CHEMBL2062575 IC50 30.0 nM
COc1cc(-c2cc(C(=O)N[C@H]3CCOC3)c3c(N)ncnn23)ccn1 CHEMBL3681206 IC50 30.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(NC3CC3)ncc12 CHEMBL3700438 IC50 30.0 nM
Cc1ccc(N/C=C2\C(=O)CCc3c2oc2c(Cl)c(Cl)c(O)cc32)cc1 CHEMBL3920024 IC50 30.0 nM
CC(C)NC1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)CC1 CHEMBL3699243 IC50 31.02 nM
COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O CHEMBL1970522 pKi 31.62 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccsc12 CHEMBL3700514 IC50 32.0 nM
COc1ccc(C(=O)Nc2nnc(-c3ccc(C(=O)O)cc3)s2)cc1 CHEMBL2087008 Ki 32.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCCc3ccccc3)ncc12 CHEMBL3700484 IC50 33.0 nM
CC(=O)Nc1cccc(Nc2nc(NC3CC3)n3ncc(C)c3n2)c1 CHEMBL230463 Ki 35.0 nM
O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1nc(NC3CC3)ncc12 CHEMBL3700462 IC50 35.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccccn3)ncc12 CHEMBL3700483 IC50 35.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(Cl)cc(Cl)c1)c1ccsc12 CHEMBL3700552 IC50 35.0 nM
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL388978 Kd 36.0 nM
COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3scnc23)c1 CHEMBL3700562 IC50 37.0 nM
NS(=O)(=O)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1 CHEMBL1988163 pKi 39.81 nM
O=C(Nc1cnccn1)Nc1ccnc2c(C(F)(F)F)cccc12 CHEMBL1994538 pKi 39.81 nM
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC CHEMBL475251 pKi 39.81 nM
CC(=O)Nc1ccc2ccn(-c3cc(NCCN4CCCC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062574 IC50 40.0 nM
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 CHEMBL376505 Ki 40.0 nM
COc1cc(-c2cc(C(=O)N[C@@H]3CCCN(C(=O)C4(N)CC4)C3)c3c(N)ncnn23)ccn1 CHEMBL3681201 IC50 40.0 nM
Brc1c(Br)c(Br)c2[nH]cnc2c1Br CHEMBL373937 Ki 40.0 nM
CC(C)(C)OC(=O)N1CCOCCOc2cc(ccc2C(=O)O)-c2cnn3ccc1nc23 CHEMBL4757618 IC50 40.0 nM
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CCN(C)CC1 CHEMBL3809764 IC50 41.0 nM
Ic1c(I)c(I)c2[nH]cnc2c1I CHEMBL595730 Ki 43.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3scnc23)c1 CHEMBL3700565 IC50 44.0 nM
Nc1cc2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2cn1 CHEMBL3703937 IC50 44.0 nM
N#Cc1cnn2c(Nc3ccccc3)nc(Nc3ncc[nH]3)nc12 CHEMBL389802 Ki 45.0 nM
Clc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)c1 CHEMBL1652742 IC50 45.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NC4CC4)nc23)c1 CHEMBL1682296 IC50 46.0 nM
Fc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)c1 CHEMBL3700413 IC50 47.0 nM
COCCNc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL3700439 IC50 47.0 nM
CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)C(=O)CN(CC(=O)OCOC(C)=O)C(=O)CN(CC(=O)OCOC(C)=O)C(=O)CCCCCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c21 CHEMBL5203051 IC50 47.0 nM
Nc1ncc(-c2ccc(C(=O)O)cc2)s1 CHEMBL4166028 Kd 48.0 nM
O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)cccc12 CHEMBL1980540 pKi 50.12 nM
Cc1nc2c(sc3c(Br)ccc(Cl)c32)c(=O)o1 CHEMBL1974702 pKi 50.12 nM
O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12 CHEMBL1972119 pKi 50.12 nM
CCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12 CHEMBL3700422 IC50 51.0 nM
COc1ccc(-c2cc(Nc3ccn(C)n3)n3ncc(C#N)c3n2)cc1 CHEMBL2062561 IC50 52.0 nM
Fc1cc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)ccc1Cl CHEMBL3700414 IC50 52.0 nM
CN(Cc1ccccc1)c1nc(Nc2ccccc2)n2ncc(C#N)c2n1 CHEMBL230455 Ki 55.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NC3CCNCC3)ncc12 CHEMBL3700426 IC50 56.0 nM
COc1ccc(-c2cc(N)n3ncc(C#N)c3n2)cc1 CHEMBL2062557 IC50 58.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccccc3)ncc12 CHEMBL3700454 IC50 59.0 nM
COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](NC(=O)CC(C)(C)O)CC3)c3c(N)ncnn23)ccn1 CHEMBL3681199 IC50 60.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCCC)nc23)c1 CHEMBL3700430 IC50 60.0 nM
c1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3cnccc23)cc1 CHEMBL3700407 IC50 60.0 nM
Cc1c(Br)c(=O)oc2c(Br)c(O)ccc12 CHEMBL273101 Ki 60.0 nM
O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 CHEMBL29898 Ki 60.0 nM
CN1C(C)(C)CC(Oc2cc(OC3CC(C)(C)N(C)C(C)(C)C3)c(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)cc2C#N)CC1(C)C CHEMBL3699301 IC50 60.08 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)c1ccsc12 CHEMBL3700544 IC50 61.0 nM
O=C(O)c1cc2c(ccc3cc4c(ccc5oc(C(=O)O)cc54)cc32)o1 CHEMBL2177299 IC50 63.0 nM
Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N CHEMBL1989856 pKi 63.1 nM
COc1cccc(C=C2SC(=Nc3ccccc3)NC2=O)c1 CHEMBL1972937 pKi 63.1 nM
N#Cc1ccc2nc(N)n(-c3nc(-c4ccccc4)cs3)c2c1 CHEMBL1996066 pKi 63.1 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ccsc12 CHEMBL3700513 IC50 68.0 nM
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O CHEMBL603469 Kd 69.0 nM
COCCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12 CHEMBL3700423 IC50 69.0 nM
S=c1[nH]c2c(Br)c(Br)c(Br)c(Br)c2[nH]1 CHEMBL608394 Ki 70.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccsc12 CHEMBL3700512 IC50 70.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(Cl)ccc1F)c1ccsc12 CHEMBL3700515 IC50 70.0 nM
COc1nc(Nc2ccc(C(=O)N(C)C)cc2)ncc1-c1ccc(C(=O)O)s1 CHEMBL4224729 IC50 70.0 nM
Fc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700506 IC50 75.0 nM
O=C(O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1 CHEMBL4795226 IC50 75.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(Cl)c1)c1ccsc12 CHEMBL3700554 IC50 76.0 nM
O=C(O)CCCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 CHEMBL1928904 Ki 77.0 nM
CC(=O)Nc1ccc2[nH]cc(-c3cc(NC4CC4)n4ncc(C#N)c4n3)c2c1 CHEMBL2062581 IC50 77.0 nM
O=C(O)/C=C/c1cc(Br)c(Br)c(Br)c1Br CHEMBL270724 Ki 77.0 nM
COc1ccc(-c2cc(NC3CC3)n3ncc(C#N)c3n2)cc1 CHEMBL2062560 IC50 78.0 nM
CC(=O)Nc1cc2c(ccn2-c2cc(NC3CC3)n3ncc(C#N)c3n2)cc1C CHEMBL2062569 IC50 79.0 nM
O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12 CHEMBL539474 pKi 79.43 nM
O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12 CHEMBL1966816 pKi 79.43 nM
S=c1[nH]nc2c3c4c(sc3n3c(=S)[nH]nc3n12)CCC4 CHEMBL1969537 pKi 79.43 nM
O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 CHEMBL243088 pKi 79.43 nM
O=C(O)CSc1nc2c(I)c(I)c(I)c(I)c2[nH]1 CHEMBL610448 Ki 80.0 nM
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C CHEMBL535 Kd 81.0 nM
N#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700520 IC50 81.0 nM
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CC(=O)O CHEMBL1233807 Ki 83.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1nc(NC3CC3)ncc12 CHEMBL1682295 IC50 86.0 nM
C#Cc1cccc(Nc2nc3cc(C(N)=O)ccc3c3cncnc23)c1 CHEMBL1682284 IC50 87.0 nM
Cn1c(SCCCC(=O)O)nc2c(Br)c(Br)c(Br)c(Br)c21 CHEMBL1928907 Ki 88.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NCCCN3CCOCC3)ncc12 CHEMBL3700429 IC50 89.0 nM
Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700541 IC50 90.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(I)c1)c1ccsc12 CHEMBL3700546 IC50 91.0 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(N(CC3CC3)CC3CC3)CC2)c1 CHEMBL3699248 IC50 91.56 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccsc12 CHEMBL3700384 IC50 92.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccncc3)ncc12 CHEMBL3700481 IC50 93.0 nM
CC(=O)Nc1cccc(Nc2nc(Nc3cccc(C(=O)O)c3)n3ncc(C#N)c3n2)c1 CHEMBL395969 Ki 95.0 nM
c1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)cc1 CHEMBL3700392 IC50 96.0 nM
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 CHEMBL1721885 Kd 97.0 nM
CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1 CHEMBL2005186 pKi 100.0 nM
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl CHEMBL458997 pKi 100.0 nM
O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCCC3 CHEMBL1966808 pKi 100.0 nM
NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21 CHEMBL592030 pKi 100.0 nM
O=c1nc(-c2cc3c(Oc4ccc(I)cc4)cncc3s2)[nH]o1 CHEMBL497151 pKi 100.0 nM
OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1 CHEMBL1991674 pKi 100.0 nM
N#Cc1cnn2c(N)cc(-c3cccs3)nc12 CHEMBL2062555 IC50 100.0 nM
COc1nc(Nc2ccc(C(=O)N(C)C)cc2)ncc1-c1cc(C(=O)O)cs1 CHEMBL4228242 IC50 100.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc3ccccc3c1)c1ccncc12 CHEMBL5287614 IC50 100.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1nc(NC3CC3)ncc12 CHEMBL3700459 IC50 102.0 nM
CN(C)CCNc1nc2cc(C(=O)O)ccc2c2sccc12 CHEMBL3700382 IC50 102.0 nM
COC(CNc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12)OC CHEMBL3700467 IC50 103.0 nM
NS(=O)(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700519 IC50 103.0 nM
O=C(O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 CHEMBL223082 Ki 106.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(NCCN3CCOCC3)ncc12 CHEMBL3700428 IC50 107.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCCCOCC)nc23)c1 CHEMBL3700441 IC50 107.0 nM
O=C(O)Cc1ccn(-c2cncc(-n3ncc4ccc(NC5CCCC5)cc43)n2)c1 CHEMBL2048144 IC50 110.0 nM
Nc1ncnn2c(-c3ccnc(F)c3)cc(C(=O)N[C@H]3CC[C@H](O)CC3)c12 CHEMBL3681193 IC50 110.0 nM
O=C(O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1O CHEMBL4520531 Kd 110.0 nM
Cn1c(SCCC(=O)O)nc2c(Br)c(Br)c(Br)c(Br)c21 CHEMBL1928906 Ki 112.0 nM
COc1cc(C(=O)O)ccc1-c1cncc(-n2ncc3ccc(NC(C)C)cc32)n1 CHEMBL4227028 IC50 112.0 nM
COC(=O)c1ccc2c(c1)nc(Nc1ccccc1)c1ccncc12 CHEMBL3700409 IC50 113.0 nM
O=C(O)CCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 CHEMBL1928903 Ki 116.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(S(=O)(=O)NC3CC3)c1)c1ccsc12 CHEMBL3700551 IC50 116.0 nM
N#Cc1cnn2c(NC3CC3)cc(-n3ccc4ccc(CO)cc43)nc12 CHEMBL2062578 IC50 120.0 nM
COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3639992 IC50 120.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ncsc12 CHEMBL3700563 IC50 120.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc3cc[nH]c3c1)c1ccsc12 CHEMBL3700542 IC50 121.0 nM
Brc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700505 IC50 122.0 nM
N#Cc1cnc(NC(=O)Nc2ccc3cc(C(=O)O)ccc3c2)cn1 CHEMBL560813 pKi 125.89 nM
Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1 CHEMBL482967 pKi 125.89 nM
O=c1[nH]cnc2c1sc1c(Cl)ccc(Cl)c12 CHEMBL583144 pKi 125.89 nM
O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12 CHEMBL1968151 pKi 125.89 nM
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl CHEMBL1993661 pKi 125.89 nM
N#Cc1cnn2c(Nc3ccccc3)nc(-n3ccnc3)nc12 CHEMBL230135 Ki 126.0 nM
CCOc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700516 IC50 126.0 nM
O=C(O)c1cc(F)cc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700549 IC50 127.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(F)c1)c1ccsc12 CHEMBL3700553 IC50 127.0 nM
Clc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700501 IC50 129.0 nM
CNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700518 IC50 129.0 nM
CN(C)CCNc1nc2cc(-c3nnn[nH]3)ccc2c2cnccc12 CHEMBL3700408 IC50 130.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(-c5nnn[nH]5)cc4)n3)c2c1 CHEMBL4224959 IC50 130.0 nM
COc1ccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)cc1Cl CHEMBL3700401 IC50 131.0 nM
N#Cc1cc(F)cc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700555 IC50 131.0 nM
CC(C)Nc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL1682291 IC50 134.0 nM
COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NC4CC4)nc23)c1 CHEMBL3700460 IC50 134.0 nM
O=C(O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700511 IC50 135.0 nM
Cc1ccc(Nc2nc(NCCc3ccccc3)n3ncc(C#N)c3n2)cc1 CHEMBL230248 Ki 137.0 nM
N#Cc1cnn2c(NCCc3cnc[nH]3)nc(Nc3ccccc3)nc12 CHEMBL389767 Ki 137.0 nM
CNC(=O)Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700537 IC50 137.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(F)ccc1F)c1ccsc12 CHEMBL3700550 IC50 138.0 nM
COc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)[nH]n2)cc1 CHEMBL2087025 IC50 140.0 nM
C#Cc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700557 IC50 141.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NC4CCNCC4)nc23)c1 CHEMBL3700432 IC50 144.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1)c1ncsc12 CHEMBL3700564 IC50 146.0 nM
COc1cc(-c2cc(C(=O)N[C@H]3CC[C@H](OCC(C)(C)C)CC3)c3c(N)ncnn23)ccn1 CHEMBL3681209 IC50 150.0 nM
Nc1ncnn2c(-c3ccncc3)cc(C(=O)NCCc3ccccn3)c12 CHEMBL3681222 IC50 150.0 nM
CS(=O)(=O)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 CHEMBL3793598 Ki 150.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1ccsc12 CHEMBL3700395 IC50 150.0 nM
COc1cccc(CCNc2nc3cc(C(=O)O)ccc3c3cnccc23)c1 CHEMBL5289971 IC50 150.0 nM
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1C CHEMBL375230 Ki 154.0 nM
OCc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700500 IC50 154.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc3[nH]ccc3c1)c1ccsc12 CHEMBL3700540 IC50 156.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(C(F)(F)F)c1)c1ccsc12 CHEMBL3700548 IC50 156.0 nM
OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 CHEMBL1986943 pKi 158.49 nM
CC(C)Nc1c(-c2ccc3[nH]ncc3c2)nc2ncccn12 CHEMBL1682553 pKi 158.49 nM
COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC CHEMBL1991434 pKi 158.49 nM
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC CHEMBL474432 pKi 158.49 nM
O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12 CHEMBL1976455 pKi 158.49 nM
CCN(CC)CCNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)O)ccc12 CHEMBL3700427 IC50 163.0 nM
N#Cc1cnn2c(Nc3ccccc3)nc(Nc3cccnc3)nc12 CHEMBL389604 Ki 168.0 nM
CN(C)CCNc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL3700464 IC50 168.0 nM
O=C(O)c1ccc2c(c1)nc(NCc1ccncc1)c1ccsc12 CHEMBL3700387 IC50 168.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ncsc12 CHEMBL3700561 IC50 169.0 nM
O=C(O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc12 CHEMBL92361 Ki 170.0 nM
CC(=O)NC1CCC(NC(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1 CHEMBL3681197 IC50 170.0 nM
Nc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCOCC3)c12 CHEMBL3681198 IC50 170.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCCOCC)nc23)c1 CHEMBL3700440 IC50 171.0 nM
COc1ccccc1Nc1nc2cc(C(=O)O)ccc2c2sccc12 CHEMBL3700388 IC50 171.0 nM
CNC(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700502 IC50 171.0 nM
Cc1cc(NC2=NC(=O)/C(=C\c3c4ccccc4cc4ccccc34)S2)no1 CHEMBL4751362 IC50 171.0 nM
Cc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL1682286 IC50 172.0 nM
COc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700492 IC50 172.0 nM
[C-]#[N+]c1cnc2c(NC3CC3)nc(Nc3cccc(C#N)n3)nn12 CHEMBL3699283 IC50 173.5 nM
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(NCC(F)F)CC2)c1 CHEMBL3699247 IC50 178.4 nM
N#Cc1cnn2c(N)cc(-c3ccccc3)nc12 CHEMBL2062556 IC50 180.0 nM
NC(=O)c1nc(-c2cccc(C(=O)O)c2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 CHEMBL5430654 IC50 180.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(Nc3ccccc3)ncc12 CHEMBL1682301 IC50 185.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Br)c1)c1ccsc12 CHEMBL3700538 IC50 187.0 nM
CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OC(F)F)c3)n3ncc(C#N)c3n2)c1 CHEMBL398170 Ki 190.0 nM
CCOc1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(C#N)cnn23)c1 CHEMBL230987 Ki 190.0 nM
CC(=O)Nc1cccc(Nc2nc(Nc3cccc(C(=O)NCCN(C)C)c3)n3ncc(C#N)c3n2)c1 CHEMBL230781 Ki 190.0 nM
CCOC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1 CHEMBL3681195 IC50 190.0 nM
O=C(O)CNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700534 IC50 192.0 nM
Fc1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)cc1Cl CHEMBL3700491 IC50 194.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(Nc3cccc(C(F)(F)F)c3)ncc12 CHEMBL3700486 IC50 198.0 nM
NS(=O)(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700503 IC50 198.0 nM
NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl CHEMBL1965660 pKi 199.53 nM
Cc1nc2c(I)c(Cl)c(Cl)c(I)c2[nH]1 CHEMBL592970 Ki 200.0 nM
CC(C)=CC(=O)c1oc2c(Cl)c(Cl)c(O)c(C#N)c2c1N CHEMBL1765541 IC50 200.0 nM
CC(=O)Oc1c(Cl)c(Cl)c2oc(C(=O)C=C(C)C)c(N)c2c1C#N CHEMBL1765542 IC50 200.0 nM
Fc1cc(F)cc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700558 IC50 204.0 nM
CC(=O)Nc1cccc(Nc2nc(Nc3ccc(CN4CCNCC4)cc3)n3ncc(C#N)c3n2)c1 CHEMBL395968 Ki 210.0 nM
CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCCO CHEMBL2062583 IC50 210.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ccsc12 CHEMBL3700397 IC50 210.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1nc(O)ncc12 CHEMBL3700445 IC50 214.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)cc1)c1ccsc12 CHEMBL3700394 IC50 219.0 nM
CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)C2[N+](=O)[O-])C1=O CHEMBL4443718 Ki 220.0 nM
COC(=O)N[C@@H]1CCN(c2cc(C#N)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1OC CHEMBL3699261 IC50 220.1 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(=O)NC3CC3)c1)c1ccsc12 CHEMBL3700536 IC50 221.0 nM
CCCNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700532 IC50 224.0 nM
O=C(O)c1ccc2c(c1)nc(NCCN1CCCC1)c1ccsc12 CHEMBL3700487 IC50 231.0 nM
Clc1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)cc1 CHEMBL3700493 IC50 233.0 nM
Cc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700507 IC50 235.0 nM
O=C(NC1CC1)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700528 IC50 237.0 nM
COc1ccc(OC)c(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700404 IC50 238.0 nM
CC(=O)Nc1ccc2c(c1)N(c1cc(NC3CC3)n3ncc(C#N)c3n1)CCC2 CHEMBL2062568 IC50 240.0 nM
COC(=O)CNC(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700525 IC50 240.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ncncc12 CHEMBL5277426 IC50 240.0 nM
CCc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700545 IC50 242.0 nM
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL608533 Kd 250.0 nM
COc1ccncc1-c1cc(NC2CC2)n2ncc(C#N)c2n1 CHEMBL2062562 IC50 250.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCCCN4CCOCC4)nc23)c1 CHEMBL3700433 IC50 250.0 nM
COCCNC(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700530 IC50 251.0 nM
Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3I)cc12 CHEMBL1975128 pKi 251.19 nM
Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1 CHEMBL1964444 pKi 251.19 nM
Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1 CHEMBL1997846 pKi 251.19 nM
N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12 CHEMBL1973711 pKi 251.19 nM
CN(C)CCNc1nc2cc(-c3nnn[nH]3)ccc2c2sccc12 CHEMBL3700489 IC50 252.0 nM
COc1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)cc1Cl CHEMBL3700494 IC50 256.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(F)c1F)c1ccsc12 CHEMBL3700547 IC50 256.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1O)c1ccsc12 CHEMBL3700402 IC50 257.0 nM
O=C(O)Cn1cnc2c(I)c(I)c(I)c(I)c21 CHEMBL593153 Ki 261.0 nM
CC(=O)Nc1ccc2c(c1)N(c1cc(NC3CC3)n3ncc(C#N)c3n1)CCO2 CHEMBL2062567 IC50 270.0 nM
CC(C)Oc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700496 IC50 270.0 nM
O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1 CHEMBL72365 IC50 279.0 nM
COc1cc(/C=C(\C#N)C(=O)Nc2nnc(Br)s2)ccc1O CHEMBL4795023 IC50 280.0 nM
CNS(=O)(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700543 IC50 281.0 nM
Cc1cc(CNC(=O)c2cccc(Nc3nc4cc(-c5nnn[nH]5)ccc4c4sccc34)c2)no1 CHEMBL3700529 IC50 288.0 nM
Fc1cc(Cl)cc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700556 IC50 289.0 nM
Nc1ncnn2c(-c3ccncc3)cc(C(=O)N[C@H]3CC[C@@H](O)CC3)c12 CHEMBL3681220 IC50 290.0 nM
c1cc2c(Nc3ccc4c(c3)OCCO4)nc3cc(-c4nnn[nH]4)ccc3c2s1 CHEMBL3700510 IC50 290.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)nc4)n3)c2c1 CHEMBL4225224 IC50 297.0 nM
Clc1c(Cl)c(I)c2[nH]cnc2c1I CHEMBL595953 Ki 300.0 nM
Brc1c(Br)c(Br)c2[nH]nnc2c1Br CHEMBL177820 Ki 300.0 nM
O=C([O-])c1ccc2c(c1)cc(-c1ccc(Cl)cc1)c1ccncc12 CHEMBL4878788 IC50 300.0 nM
CNc1nccc2c(Br)cc3cc(C(=O)[O-])ccc3c12 CHEMBL4856868 IC50 300.0 nM
COc1nccc2c(Br)cc3cc(C(=O)[O-])ccc3c12 CHEMBL4870359 IC50 300.0 nM
Nc1nccc2cc(Br)c3cc(C(=O)[O-])ccc3c12 CHEMBL4852867 IC50 300.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1Cl)c1ncncc12 CHEMBL5288569 IC50 300.0 nM
CC(=O)N1CCN(C(=O)c2cccc(Nc3nc4cc(-c5nnn[nH]5)ccc4c4sccc34)c2)CC1 CHEMBL3700531 IC50 303.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(C(=O)N3CCOCC3)c1)c1ccsc12 CHEMBL3700533 IC50 307.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(CN)cc4)n3)c2c1 CHEMBL4227791 IC50 310.0 nM
COc1ccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)cc1OC CHEMBL1964399 pKi 316.23 nM
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O CHEMBL2006836 pKi 316.23 nM
c1cnc2nc(-c3ccc4[nH]ncc4c3)c(NC3CCCCC3)n2c1 CHEMBL1682552 pKi 316.23 nM
Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1 CHEMBL1969523 pKi 316.23 nM
Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12 CHEMBL2002726 pKi 316.23 nM
CCCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12 CHEMBL1977223 pKi 316.23 nM
CN(C)C(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700527 IC50 318.0 nM
OCCCn1nnc2c(Br)c(Br)c(Br)c(Br)c21 CHEMBL456634 IC50 320.0 nM
O=C(O)c1ccc2c(c1)nc(N1CCc3ccccc31)c1ccsc12 CHEMBL3700400 IC50 320.0 nM
O=C(CCNCc1ccc(-c2ccccc2)c(Cl)c1)NCCC(=O)Nc1cccc(C(=O)O)c1 CHEMBL4070389 Kd 320.0 nM
Cc1nnc(NC(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)s1 CHEMBL4784643 IC50 320.0 nM
COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3OCc3cccc(Cl)c3)s2)cc1 CHEMBL3759388 IC50 330.0 nM
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2O)ccc1O CHEMBL4776391 IC50 330.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1F)c1ccsc12 CHEMBL3700539 IC50 335.0 nM
OCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 CHEMBL459346 IC50 340.0 nM
CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12 CHEMBL3681221 IC50 340.0 nM
CCOc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700508 IC50 346.0 nM
COc1cc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)cc(OC)c1 CHEMBL3700497 IC50 348.0 nM
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCCCOC(C)C)nc23)c1 CHEMBL3700442 IC50 349.0 nM
Nc1ccc(N)c2c1C(=O)c1c(O)ccc(O)c1C2=O CHEMBL572879 Ki 350.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(O)c1)c1ccsc12 CHEMBL3700389 IC50 350.0 nM
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12 CHEMBL31574 Ki 350.0 nM
N#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cncnc23)c1 CHEMBL4846181 IC50 350.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)c(Cl)c1)c1nc(NCc3ccccn3)ncc12 CHEMBL3700466 IC50 356.0 nM
COc1ccc(OC)c(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700495 IC50 358.0 nM
CCc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700509 IC50 358.0 nM
CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)NS(C)(=O)=O)cc4)n3)c2c1 CHEMBL4224693 IC50 360.0 nM
COc1nc(Nc2ccc(C(=O)N(C)C)cc2)ncc1-c1csc(C(=O)O)c1 CHEMBL4226991 IC50 360.0 nM
COc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(C)(C)C)s2)ccc1O CHEMBL4778120 IC50 360.0 nM
O=C(NCc1cccnc1)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700526 IC50 363.0 nM
CN(C)CCNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 CHEMBL3700535 IC50 366.0 nM
O=C(O)c1ccc2c(c1)nc(NCc1cccnc1)c1ccsc12 CHEMBL3700385 IC50 367.0 nM
O=C(O)CCCn1cnc2c(Br)c(Br)c(Br)c(Br)c21 CHEMBL1928908 Ki 368.0 nM
CCN(CC)C(=O)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(C#N)cnn23)c1 CHEMBL230886 Ki 370.0 nM
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1nnc(Br)s1 CHEMBL4798710 IC50 370.0 nM
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1O CHEMBL4789806 IC50 370.0 nM
Fc1ccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)cc1 CHEMBL3700490 IC50 371.0 nM
CCCNC(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700522 IC50 380.0 nM
NC(=O)c1nc(-c2cccc(C(=O)O)c2)nc2c1[nH]c(=O)n2-c1ccc([N+](=O)[O-])cc1 CHEMBL5397687 IC50 380.0 nM
FC(F)(F)Oc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3639993 IC50 392.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1cccc(Oc3ccccc3)c1)c1ccsc12 CHEMBL3700517 IC50 395.0 nM
O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21 CHEMBL1997129 pKi 398.11 nM
CC1=NN(c2cccc(Br)c2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O CHEMBL2005112 pKi 398.11 nM
NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1F CHEMBL1981079 pKi 398.11 nM
Cc1nc2ccccn2c1-c1csc(Nc2ccc(O)cc2)n1 CHEMBL513846 pKi 398.11 nM
Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1 CHEMBL2006439 pKi 398.11 nM
O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1 CHEMBL50894 pKi 398.11 nM
Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12 CHEMBL1986499 pKi 398.11 nM
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1 CHEMBL296586 pKi 398.11 nM
NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12 CHEMBL1966524 pKi 398.11 nM
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 CHEMBL572878 Kd 400.0 nM
FC(F)(F)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 CHEMBL227370 Ki 400.0 nM
O=[N+]([O-])c1ccc2c(/N=N/c3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1 CHEMBL459510 IC50 400.0 nM
OC[C@H]1O[C@H](n2cnc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O CHEMBL3706697 Ki 400.0 nM
N#Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(=O)O)c4)nc32)cc1 CHEMBL5408430 IC50 400.0 nM
FC(F)(F)c1cccc(Nc2nc3cc(C4=NNNN4)ccc3c3sccc23)c1 CHEMBL3700499 IC50 406.0 nM
N#Cc1cnn2c(N)cc(-c3ccc(F)cc3)nc12 CHEMBL2062558 IC50 430.0 nM
CC1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1 CHEMBL3681210 IC50 440.0 nM
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCCC(=O)O CHEMBL1928909 Ki 456.0 nM
N#Cc1cnn2c(NC3CC3)cc(-c3cccs3)nc12 CHEMBL2062559 IC50 460.0 nM
Cc1cc(-c2cncc(-n3ncc4ccc(NC(C)C)cc43)n2)ccc1C(=O)O CHEMBL4225330 IC50 460.0 nM
CC(=O)Nc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700504 IC50 485.0 nM
CCOc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12 CHEMBL3700452 IC50 493.0 nM
CCN(CC)Cc1ccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(C#N)cnn23)cc1 CHEMBL230779 Ki 500.0 nM
CC(=O)Nc1ccc2c(c1)c(-c1cc(NC3CC3)n3ncc(C#N)c3n1)cn2CCO CHEMBL2062582 IC50 500.0 nM
NC(=O)Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1 CHEMBL3823403 IC50 500.0 nM
Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12 CHEMBL1972158 pKi 501.19 nM
CN(C)c1cc2sncc2cc1NC(=O)C(=O)O CHEMBL1997023 pKi 501.19 nM
CC1=NN(c2ccccc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O CHEMBL1999126 pKi 501.19 nM
O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2 CHEMBL1996831 pKi 501.19 nM
NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1 CHEMBL1982957 pKi 501.19 nM
Oc1c2ccccc2c2c3c(cccc13)N=N2 CHEMBL1725279 pKi 501.19 nM
CSc1cnc2c(ccc3cnccc32)c1O CHEMBL2006933 pKi 501.19 nM
O=C1Nc2ccc3ncsc3c2C1=CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 CHEMBL1973540 pKi 501.19 nM
O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12 CHEMBL1999811 pKi 501.19 nM
CSc1ccc2nc3c(c(Cl)c2c1)CCNC3=O CHEMBL1985074 pKi 501.19 nM
O=C(c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1)N1CCOCC1 CHEMBL3700523 IC50 502.0 nM
Cc1cc(Nc2ncc3c(n2)c(Nc2ccc(F)c(Cl)c2)nc2cc(C(=O)O)ccc23)[nH]n1 CHEMBL3700470 IC50 513.0 nM
O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ccsc12 CHEMBL3700488 IC50 516.0 nM
OCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c21 CHEMBL453937 IC50 540.0 nM
CN(C)CCNC(=O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 CHEMBL3700524 IC50 549.0 nM
CCN(CC)c1cccc(Nc2nc(Nc3cccc(NC(C)=O)c3)nc3c(C#N)cnn23)c1 CHEMBL230674 Ki 550.0 nM
O=C(O)c1ccc2c(c1)nc(NCCc1ccccc1)c1ncncc12 CHEMBL5279015 IC50 550.0 nM
CN(C)C(=O)c1ccc(Nc2ncc(-c3ccc(C(=O)O)cc3)cn2)cc1 CHEMBL4229169 IC50 560.0 nM
COc1cccc(CCNc2nc3cc(C(=O)O)ccc3c3cncnc23)c1 CHEMBL5273101 IC50 570.0 nM
O=C(O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 CHEMBL4556528 Kd 600.0 nM
CC1CC(=O)c2c3c(n(C(C)C)c2C1=O)-c1ccccc1C3=O CHEMBL5412868 IC50 607.0 nM
Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(C(=O)O)c4)nc32)cc1 CHEMBL5412267 IC50 620.0 nM
O=C(O)c1ccc2c(c1)nc(NCc1ccccn1)c1ccsc12 CHEMBL3700383 IC50 622.0 nM
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2 CHEMBL461876 pKi 630.96 nM
O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12 CHEMBL2004544 pKi 630.96 nM
O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21 CHEMBL2001920 pKi 630.96 nM
c1cnc2nc(-c3ccc4[nH]ncc4c3)cn2c1 CHEMBL1682540 pKi 630.96 nM
Cc1cnc(Nc2cccc(S(N)(=O)=O)c2)nc1Nc1ccc(OCC(N)=O)cc1 CHEMBL1988838 pKi 630.96 nM
O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21 CHEMBL226403 pKi 630.96 nM
COC(=O)c1ccc2c(c1)nc(Cl)c1ncncc12 CHEMBL3700412 IC50 651.0 nM
CN1CCCN(c2cncc(-c3cccc(/C=C/C(=O)O)c3)n2)CC1 CHEMBL493937 IC50 663.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(N3CCOCC3)cc1)c1ccsc12 CHEMBL3700403 IC50 666.0 nM
O=C(O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c21 CHEMBL594575 Ki 670.0 nM
O=C(O)c1ccc2c(c1)nc(NCCCO)c1ccsc12 CHEMBL1652716 IC50 670.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccc(F)cc1F)c1ccsc12 CHEMBL3700398 IC50 670.0 nM
CC1CCCCN1CCCNc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12 CHEMBL3700465 IC50 686.0 nM
CC(=O)Nc1cccc(Nc2nc(Nc3cccc(C(=O)N4CCCC4)c3)n3ncc(C#N)c3n2)c1 CHEMBL397923 Ki 700.0 nM
O=C(O)c1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 CHEMBL4458300 Ki 700.0 nM
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1nnc(C(F)(F)F)s1 CHEMBL4783065 IC50 710.0 nM
OCc1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 CHEMBL1649760 IC50 711.0 nM
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 CHEMBL28 Ki 740.0 nM
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1ncncc12 CHEMBL5273686 IC50 740.0 nM
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O CHEMBL189963 Kd 760.0 nM
COc1ccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c(OC)c1 CHEMBL3700390 IC50 771.0 nM
O=C1c2c(O)cccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21 CHEMBL574060 Ki 780.0 nM
O=c1c2c(O)cccc2oc2c([N+](=O)[O-])ccc(O)c12 CHEMBL270512 Ki 780.0 nM
Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C CHEMBL1964290 pKi 794.33 nM
CCCC(=O)Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12 CHEMBL2005936 pKi 794.33 nM
Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1 CHEMBL507936 pKi 794.33 nM
Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12 CHEMBL1998159 pKi 794.33 nM
Cc1nsc2[nH]cc(C(=O)O)c(=O)c12 CHEMBL2002553 pKi 794.33 nM
Nc1ncnc2c1sc1ncnc(N)c12 CHEMBL1976090 pKi 794.33 nM
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1 CHEMBL274064 pKi 794.33 nM
Brc1cnc2[nH]cc(-c3ccccc3)c2c1 CHEMBL1992634 pKi 794.33 nM
CCNNc1cc(C)c(C#N)c2nc3ccccc3n12 CHEMBL2000433 pKi 794.33 nM
C[C@@H](O)CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 CHEMBL3322700 IC50 800.0 nM
COc1cc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)ccc1F CHEMBL3700498 IC50 812.0 nM
CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1 CHEMBL1738758 IC50 826.0 nM
O=C(O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ncncc12 CHEMBL5272174 IC50 830.0 nM
COc1cc(/C=C(\C#N)C(=O)Nc2nnc(C)s2)ccc1O CHEMBL4799521 IC50 880.0 nM
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O CHEMBL289277 IC50 890.0 nM
O=c1[nH]c2cc(-c3nn[nH]n3)ccc2c2sccc12 CHEMBL3700405 IC50 900.0 nM
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 CHEMBL1287853 Kd 920.0 nM
O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1ncncc12 CHEMBL5288779 IC50 920.0 nM
O=C(O)c1ccc2c(c1)nc(NCCN1CCOCC1)c1ccsc12 CHEMBL3700386 IC50 922.0 nM
O=C(O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ncncc12 CHEMBL5284276 IC50 930.0 nM
CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc1ccn3ncc-2c3n1 CHEMBL5087558 IC50 950.0 nM
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1ccsc12 CHEMBL3700399 IC50 970.0 nM
O=C(O)c1ccc2c(c1)nc(OCCCO)c1ccsc12 CHEMBL1652715 IC50 995.0 nM