Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O CHEMBL1164729 Ki 0.1 nM
Cc1nc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)sc1C(=O)O CHEMBL5417928 IC50 0.38 nM
CC(C)COc1ccc(-c2nc(N)[nH]c(=O)c2C#N)cc1C#N CHEMBL3127130 pIC50 0.5012 nM
N#Cc1c(-c2ccc(OCC3CCOC3)c(OC(F)(F)F)c2)nc(N)[nH]c1=O CHEMBL3127135 pIC50 0.631 nM
Nc1nc(-c2ccc(OCC3CCOC3)c(OC(F)(F)F)c2)c(Cl)c(=O)[nH]1 CHEMBL3127117 pIC50 1.0 nM
Cc1nc(-c2ccc(OCC(C)C)c(-n3cnnn3)c2)sc1C(=O)O CHEMBL5436777 IC50 1.0 nM
CCCCCCCNc1ccc(-c2cc(C(=O)O)ccn2)cc1C#N CHEMBL5410457 IC50 1.1 nM
CC(C)COc1ccc(-c2nc(N)[nH]c(=O)c2C#N)cc1C(F)(F)F CHEMBL3127137 pIC50 1.259 nM
N#Cc1cc(-c2nc(N)[nH]c(=O)c2C#N)ccc1OCC1CC1 CHEMBL3127134 pIC50 1.259 nM
COC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1 CHEMBL5400293 Ki 1.5 nM
N#Cc1cc(-c2nc(N)[nH]c(=O)c2Cl)ccc1OCC1CCOC1 CHEMBL3127114 pIC50 1.585 nM
CC(C)COc1ccc(-c2nc(N)[nH]c(=O)c2Cl)cc1C#N CHEMBL3127131 pIC50 1.585 nM
COC(=O)c1cc2cc(OCC(C)C)ccc2[nH]1 CHEMBL5433965 Ki 1.7 nM
Cc1nc(-c2ccc3c(c2)c(C#N)cn3C(C)CO)sc1C(=O)O CHEMBL3402699 IC50 3.0 nM
Cc1nc(-c2cc(C#N)c3[nH]c(-c4ccccc4)cc3c2)sc1C(=O)O CHEMBL5406281 IC50 3.1 nM
COCCOCCn1cc(C#N)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21 CHEMBL5437185 IC50 3.5 nM
Oc1ncnc2[nH]ncc12 CHEMBL1467 IC50 3.6 nM
CC(C)Oc1ccc(-c2ncc3c(=O)[nH][nH]c3n2)cc1C#N CHEMBL5197177 Ki 3.7 nM
N#Cc1cc(-c2nc(N)[nH]c(=O)c2Cl)ccc1OCCCCO CHEMBL3127133 pIC50 3.981 nM
CC(C)CCOc1ccc(-c2ncc(C(=O)O)c(=N)[nH]2)cc1C#N CHEMBL4445985 Ki 4.2 nM
N#Cc1cc([N+](=O)[O-])cc(I)c1N CHEMBL5431630 Ki 4.2 nM
CCn1cc(C)c2cc(-c3nc(C)c(C(=O)O)s3)cc(C#N)c21 CHEMBL5428004 IC50 5.0 nM
CCCn1cc(C)c2cc(-c3nc(C)c(C(=O)O)s3)cc(C#N)c21 CHEMBL5423539 IC50 5.0 nM
Cc1nc(-c2cc(C#N)c3c(ccn3C)c2)sc1C(=O)O CHEMBL5433112 IC50 5.0 nM
COc1cc(/C=C2\CCC/C(=C\c3ccc(Br)cc3)C2=O)cc(OC)c1 CHEMBL2316146 IC50 5.7 nM
N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1 CHEMBL1078685 Ki 5.7 nM
CC(C)(C)COc1ccc(-n2cc(C(=O)O)cn2)cc1C#N CHEMBL169526 IC50 5.8 nM
COC(=O)c1sc(-c2cc3cc([N+](=O)[O-])cc(C#N)c3[nH]2)nc1C CHEMBL5415938 Ki 6.2 nM
Nc1nc(-c2ccc(OCC3CCOC3)c(C(F)(F)F)c2)c(Cl)c(=O)[nH]1 CHEMBL3127116 pIC50 6.31 nM
Cc1cc(-c2nc(N)[nH]c(=O)c2Cl)cc(C#N)c1OCC1CCOC1 CHEMBL3127115 pIC50 6.31 nM
COC(=O)c1cc2cc(C)cc(Br)c2[nH]1 CHEMBL5410719 Ki 7.6 nM
COC(=O)c1cc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2[nH]1 CHEMBL5400172 Ki 8.0 nM
COC(=O)c1cc2cc(CNS(C)(=O)=O)cc([N+](=O)[O-])c2[nH]1 CHEMBL5414571 Ki 8.0 nM
CCCCCCSc1nc(O)c2[nH]cnc2n1 CHEMBL86056 Ki 9.8 nM
COc1cc(/C=C2\CCC/C(=C\c3ccc(S(C)(=O)=O)cc3)C2=O)cc(OC)c1 CHEMBL2316158 IC50 10.8 nM
COc1cc(/C=C2\CC/C(=C\c3ccc(S(C)(=O)=O)cc3)C2=O)cc(OC)c1 CHEMBL3933132 IC50 17.7 nM
CCCn1cc(C#N)c2cc(NC(=O)c3c[nH]cn3)ccc21 CHEMBL5402445 IC50 18.0 nM
COc1cc(/C=C2\CCC/C(=C\c3cccc(Br)c3)C2=O)cc(OC)c1 CHEMBL2316145 IC50 18.9 nM
CC(C)(C)COc1ccc(-c2nc(N)[nH]c(=O)c2C#N)cc1OC(F)(F)F CHEMBL3127136 pIC50 19.95 nM
CC(C)COc1ccc(-c2cc(O)nc(N)n2)cc1C#N CHEMBL2205509 IC50 20.0 nM
N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1CCC(F)(F)C2 CHEMBL5421228 IC50 20.7 nM
N#Cc1ccccc1COc1ccc(NC(=O)c2c[nH]cn2)cc1-n1cnnn1 CHEMBL5433814 IC50 22.0 nM
N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1OCCO2 CHEMBL5432623 IC50 22.8 nM
NC1=NC(=O)/C(=C\c2ccc(Oc3ccccc3)cc2)S1 CHEMBL5190308 IC50 23.3 nM
N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1OCC2 CHEMBL5395909 IC50 24.0 nM
CC(C)Oc1ccc(-c2nccc(C(=O)O)n2)cc1C#N CHEMBL5186383 Ki 24.3 nM
COc1cc(/C=C2\CCC/C(=C\c3ccccc3Cl)C2=O)cc(OC)c1 CHEMBL2316142 IC50 24.5 nM
CSc1nc(O)c(C(=O)Nc2ccc(-c3cnn[nH]3)cn2)c(=O)[nH]1 CHEMBL5395750 IC50 25.0 nM
N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1CCCC2 CHEMBL5407183 IC50 25.0 nM
N#Cc1sc(-c2ccc(C(=O)O)c(O)c2)c2c1CCC2 CHEMBL5394667 IC50 25.9 nM
NC1=NC(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)S1 CHEMBL5172230 IC50 26.2 nM
O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nnn[nH]2)cc1 CHEMBL5414965 IC50 26.3 nM
COc1cc(/C=C2\CC/C(=C\c3cccc(Cl)c3)C2=O)cc(OC)c1 CHEMBL3960045 IC50 29.3 nM
CCOc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 CHEMBL5425945 IC50 29.3 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccc(Cl)cc3)nn12 CHEMBL4100922 IC50 32.0 nM
CC(C)Oc1ccc(-c2ncc(C(=O)O)cn2)cc1C#N CHEMBL5189353 Ki 32.5 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccc(Br)cc3)nn12 CHEMBL4070104 IC50 34.0 nM
Oc1nc(O)c2cn[nH]c2n1 CHEMBL859 Ki 35.0 nM
COc1cc(/C=C2\CC/C(=C\c3cccc(Br)c3)C2=O)cc(OC)c1 CHEMBL3971115 IC50 35.2 nM
COc1cc(/C=C2\CC/C(=C\c3ccccc3Cl)C2=O)cc(OC)c1 CHEMBL3941517 IC50 37.0 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccc(O)c([N+](=O)[O-])c3)nn12 CHEMBL4071536 IC50 37.0 nM
Cc1ccc(COc2ccc(-c3ncc(C(=O)O)c(C)n3)cc2C#N)cc1 CHEMBL5407321 IC50 37.0 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3cccc(Cl)c3)nn12 CHEMBL4076670 IC50 38.0 nM
N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCc1ccc(F)cc1 CHEMBL5178809 IC50 39.0 nM
COc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 CHEMBL5398917 IC50 40.0 nM
Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 CHEMBL456610 IC50 40.0 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccc4c(c3)OCO4)nn12 CHEMBL4095244 IC50 41.0 nM
Cc1ccc(-c2nc3c4cn[nH]c4[nH]c(=O)n3n2)cc1 CHEMBL4105303 IC50 41.0 nM
N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCc1ccc(Br)cc1 CHEMBL5196996 IC50 43.0 nM
N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCc1ccc(Cl)cc1 CHEMBL5191517 IC50 44.0 nM
N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCc1ccccc1 CHEMBL5179253 IC50 45.0 nM
N#Cc1cc(-c2nccc(C(=O)O)n2)ccc1OCC1CCCCC1 CHEMBL5193655 IC50 49.0 nM
COc1cc(/C=C2\CCC/C(=C\c3cccc(Cl)c3)C2=O)cc(OC)c1 CHEMBL2316141 IC50 49.4 nM
CC(C)COc1ccc(-c2nccc(C(=O)O)n2)cc1C#N CHEMBL5180223 IC50 50.0 nM
CSc1nc(O)c(C(=O)Nc2ccc(-c3cnn[nH]3)cc2)c(=O)[nH]1 CHEMBL5397864 IC50 50.0 nM
O=c1oc2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3O)c2s1 CHEMBL4089920 IC50 50.0 nM
CC(C)CCOc1ccc(-c2nccc(C(=O)O)n2)cc1C#N CHEMBL5206769 IC50 51.0 nM
Cc1nc(-c2ccc(OC(C)C)c(C#N)c2)ncc1C(=O)O CHEMBL5399992 IC50 52.0 nM
COc1ccc(-c2nc3c4cn[nH]c4[nH]c(=O)n3n2)cc1 CHEMBL4074787 IC50 53.0 nM
CC(C)COc1ccc(-c2ncc3c(=O)[nH][nH]c3n2)cc1C#N CHEMBL5196602 IC50 53.0 nM
N#Cc1cccc(COc2ccc(-c3ncc(C(=O)O)cn3)cc2)c1Cl CHEMBL5429096 IC50 53.0 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccc(O)cc3)nn12 CHEMBL4075359 IC50 55.0 nM
CC(C)Oc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 CHEMBL5439947 IC50 55.0 nM
Nc1nc2c(C(=O)c3cccc([N+](=O)[O-])c3)c[nH]c2c(=O)[nH]1 CHEMBL3747521 Ki 55.1 nM
Cc1ccc(COc2ccc(-c3nccc(C(=O)O)n3)cc2C#N)cc1 CHEMBL5183372 IC50 57.0 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12 CHEMBL4088768 IC50 60.0 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccc(F)cc3)nn12 CHEMBL4081758 IC50 62.0 nM
CC(C)CCOc1ccc(-c2ncc3c(=O)[nH][nH]c3n2)cc1C#N CHEMBL5202331 IC50 68.0 nM
N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCc1ccccc1 CHEMBL5187769 IC50 68.0 nM
CCCCCCCc1nc2c3cn[nH]c3[nH]c(=O)n2n1 CHEMBL4102572 IC50 69.0 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccccc3Cl)nn12 CHEMBL4105259 IC50 70.0 nM
Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2O CHEMBL5403463 IC50 70.0 nM
CC(C)(C)c1ccc(COc2ccc(-c3nccc(C(=O)O)n3)cc2C#N)cc1 CHEMBL5191800 IC50 72.0 nM
O=c1nc(N/N=C/c2ccccc2Cl)c2cn[nH]c2[nH]1 CHEMBL4097483 IC50 77.0 nM
COC(=O)CNC(=O)c1ccc(-n2ncc3c(N)ncnc32)cc1 CHEMBL459843 IC50 80.0 nM
Cc1ccc(COc2ccc(-c3ncc(C(=O)O)cn3)cc2C#N)cc1 CHEMBL5185700 IC50 80.0 nM
COc1ccc(/C=C2\SC(N)=NC2=O)cc1OCc1ccc(Cl)cc1 CHEMBL5199977 IC50 80.3 nM
CC(C)n1cc(C#N)c2cc(-c3nccc(O)n3)ccc21 CHEMBL5182369 IC50 85.0 nM
COc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)cc1O CHEMBL5421553 IC50 90.0 nM
O=C1CC(c2ccc(O)c(-c3c(O)cc(O)c4c3OC(c3ccc(O)cc3)CC4=O)c2)Oc2cc(O)cc(O)c21 CHEMBL4100064 IC50 92.0 nM
N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCC1CCCCC1 CHEMBL5203944 IC50 94.0 nM
N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCC1CCCCC1 CHEMBL5205761 IC50 96.0 nM
O=C(O)CCCCCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 CHEMBL3594383 IC50 98.0 nM
CC(C)(C)c1ccc(COc2ccc(-c3ncc(C(=O)O)cn3)cc2C#N)cc1 CHEMBL5175675 IC50 99.0 nM
Cc1cc(C#N)cc(-c2cc(=O)[nH]c(N)n2)c1 CHEMBL3127124 pIC50 100.0 nM
O=c1[nH]c2[nH]ncc2c2nc(-c3ccccc3)nn12 CHEMBL4075318 IC50 103.0 nM
CC(C)COc1ccc(-c2ncc(C(=O)O)cn2)cc1C#N CHEMBL5190253 IC50 107.0 nM
Cc1ccc(COc2ccc(-c3ncc4c(=O)[nH][nH]c4n3)cc2C#N)cc1 CHEMBL5172810 IC50 113.0 nM
C=CCCCCCCCCc1nc2c3cn[nH]c3[nH]c(=O)n2n1 CHEMBL4086235 IC50 117.0 nM
N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCc1ccc(Cl)cc1 CHEMBL5170165 IC50 121.0 nM
N#Cc1cn(C2CCCC2)c2ccc(-c3nccc(O)n3)cc12 CHEMBL5208608 IC50 130.0 nM
CC(C)COc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N CHEMBL4162849 IC50 132.0 nM
N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccccc1 CHEMBL5187940 IC50 134.0 nM
CCC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N CHEMBL4167393 IC50 138.0 nM
CC(C)CCOc1ccc(-c2ncc(C(=O)O)cn2)cc1C#N CHEMBL5173648 IC50 138.0 nM
N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccc(Br)cc1 CHEMBL5192199 IC50 138.0 nM
CC(C)COc1ccc(-c2cc(O)nc(N)n2)cc1[N+](=O)[O-] CHEMBL2205508 IC50 140.0 nM
N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCc1ccc(Br)cc1 CHEMBL5177547 IC50 147.0 nM
N#Cc1cc(-c2ncc3c(=O)[nH][nH]c3n2)ccc1OCc1ccc(F)cc1 CHEMBL5199185 IC50 151.0 nM
Nc1nc(O)c2ncn(-c3cccc(C(F)(F)F)c3)c2n1 CHEMBL3247913 log(1/IC50) 151.36 nM
CCCCCSc1nc(O)c2[nH]cnc2n1 CHEMBL86021 Ki 155.0 nM
CCCCCCSc1nc(O)c2[nH]c(O)nc2n1 CHEMBL82703 Ki 160.0 nM
N#Cc1cn(C2CCCC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12 CHEMBL5185392 IC50 160.0 nM
CCCOc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 CHEMBL5407086 IC50 160.0 nM
N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccc(F)cc1 CHEMBL5185716 IC50 163.0 nM
CC(C)Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21 CHEMBL5184152 IC50 170.0 nM
COc1ccc(/C=N/Nc2nc(=O)[nH]c3[nH]ncc23)cc1 CHEMBL4067588 IC50 172.0 nM
CCCCSc1nc(O)c2[nH]cnc2n1 CHEMBL84609 Ki 176.0 nM
Nc1ncnc2c1cnn2-c1ccc(C(F)(F)F)cc1 CHEMBL459842 IC50 180.0 nM
CC(=O)c1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1 CHEMBL5433208 IC50 180.0 nM
O=c1[nH]c2[nH]ncc2c2ncnn12 CHEMBL4087143 IC50 184.0 nM
N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccc(Cl)cc1 CHEMBL5207426 IC50 188.0 nM
CC(C)n1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21 CHEMBL5206057 IC50 190.0 nM
C=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21 CHEMBL5197767 IC50 190.0 nM
CC(C)(C)COc1ccc(-c2cc(=O)[nH]c(N)n2)cc1 CHEMBL3127127 pIC50 199.53 nM
Nc1nc(-c2cccc(OC(F)(F)F)c2)cc(=O)[nH]1 CHEMBL3127122 pIC50 199.53 nM
CC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N CHEMBL4160564 IC50 208.0 nM
COc1cccc(-n2cnc3c(O)nc(N)nc32)c1 CHEMBL3247912 log(1/IC50) 218.78 nM
O=C(O)CCCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 CHEMBL3594381 IC50 220.0 nM
O=c1nc(N/N=C/c2cccc(Cl)c2)c2cn[nH]c2[nH]1 CHEMBL4079447 IC50 223.0 nM
O=c1nc(N/N=C/c2ccc(Cl)cc2)c2cn[nH]c2[nH]1 CHEMBL4105184 IC50 224.0 nM
NC1=NC(=O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)S1 CHEMBL5192008 IC50 228.0 nM
N#Cc1cn(CC2CC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12 CHEMBL5190168 IC50 230.0 nM
Cc1cccc(-n2cnc3c(O)nc(N)nc32)c1 CHEMBL3247868 log(1/IC50) 239.88 nM
COCOc1ccc(-c2ncc(C(=O)O)cn2)cc1C#N CHEMBL5174688 IC50 242.0 nM
Cc1ccc(/C=N/Nc2nc(=O)[nH]c3[nH]ncc23)cc1 CHEMBL4087329 IC50 247.0 nM
CC(C)(C)c1ccc(COc2ccc(-c3ncc4c(=O)[nH][nH]c4n3)cc2C#N)cc1 CHEMBL5189770 IC50 248.0 nM
O=C(O)CCCCCCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 CHEMBL3594384 IC50 250.0 nM
Cc1nc2c3cn[nH]c3[nH]c(=O)n2n1 CHEMBL4103522 IC50 250.0 nM
CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O CHEMBL2018876 IC50 250.0 nM
CCCCCCOC(=O)C(=O)Nc1[nH]cnc1C(N)=O CHEMBL85737 Ki 260.0 nM
COc1ccc([C@@H]2C/C(=N\c3ccc([N+](=O)[O-])cc3Cl)C3C(O)=CC(O[C@H]4C[C@@H](OC5O[C@H](C)[C@@H](O)[C@H](O)C5O)[C@H](O)[C@@H](O)[C@@H]4O)=CC3O2)cc1O CHEMBL5435997 IC50 263.0 nM
Nc1nc(O)c2ncn(-c3cccc(Cl)c3)c2n1 CHEMBL3247911 log(1/IC50) 269.15 nM
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 CHEMBL50 Ki 280.0 nM
C=CCc1cc(O)c(O)cc1C(C=C)c1ccc(O)c(O)c1 CHEMBL4070576 IC50 280.0 nM
CC(C)CCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N CHEMBL4170789 IC50 282.0 nM
CC(C)COc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1[N+](=O)[O-] CHEMBL4159062 IC50 283.0 nM
CC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1[N+](=O)[O-] CHEMBL4169719 IC50 292.0 nM
N#Cc1cn(CC2CC2)c2ccc(-c3nccc(O)n3)cc12 CHEMBL5192055 IC50 300.0 nM
O=c1nc(N/N=C/c2ccccc2)c2cn[nH]c2[nH]1 CHEMBL4089752 IC50 305.0 nM
Nc1nc(O)cc(-c2ccc(-c3ccccc3)cc2)n1 CHEMBL2205501 IC50 310.0 nM
O=C(O)CCCCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 CHEMBL3594382 IC50 320.0 nM
NC1=NC(=O)/C(=C\c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)S1 CHEMBL5185442 IC50 320.0 nM
CC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1I CHEMBL4165945 IC50 322.0 nM
Oc1nc2nc(O)n3c(c-2n1)SCCC3 CHEMBL87562 Ki 330.0 nM
CC(C)Cn1cc(C#N)c2cc(-c3nccc(O)n3)ccc21 CHEMBL5186503 IC50 330.0 nM
CCC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1[N+](=O)[O-] CHEMBL4173951 IC50 333.0 nM
CC(C)=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21 CHEMBL5174713 IC50 350.0 nM
O=c1nc(N/N=C/c2ccc(O)cc2)c2cn[nH]c2[nH]1 CHEMBL4068428 IC50 359.0 nM
N#Cc1cn(C2CCCC2)c2ccc(-c3noc(=O)[nH]3)cc12 CHEMBL4792232 IC50 360.0 nM
N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCC1CCOCC1 CHEMBL5197680 IC50 365.0 nM
CCOc1ccc(CNC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 CHEMBL5404770 IC50 370.0 nM
O=c1nc(N/N=C/c2ccc(F)cc2)c2cn[nH]c2[nH]1 CHEMBL4068632 IC50 373.0 nM
CCCCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1C#N CHEMBL4159488 IC50 377.0 nM
CC(C)CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21 CHEMBL5174368 IC50 380.0 nM
O=c1nc(N/N=C/c2ccc3c(c2)OCO3)c2cn[nH]c2[nH]1 CHEMBL4067344 IC50 385.0 nM
O=C(O)c1ccc(/C=N/Nc2nc(=O)[nH]c3[nH]ncc23)cc1 CHEMBL4095772 IC50 399.0 nM
N#Cc1ccc(-n2ncc3c(N)ncnc32)cc1 CHEMBL503708 IC50 400.0 nM
Nc1nc(O)c2ncn(-c3ccccc3)c2n1 CHEMBL3247910 log(1/IC50) 407.38 nM
O=C(O)c1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1Cl CHEMBL5411812 IC50 410.0 nM
CCC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1I CHEMBL4171160 IC50 417.0 nM
CCCCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1[N+](=O)[O-] CHEMBL4159866 IC50 421.0 nM
N#Cc1cn(Cc2ccc(Br)cc2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12 CHEMBL5208786 IC50 440.0 nM
CCOc1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1 CHEMBL5421658 IC50 440.0 nM
CC(C)COc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1I CHEMBL4176562 IC50 463.0 nM
CCCCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1I CHEMBL4163955 IC50 471.0 nM
CCCCCCSc1nc(O)c2[nH]c(-c3ccccc3)nc2n1 CHEMBL82755 Ki 490.0 nM
O=Cc1ccccc1-c1ccc(-c2nnn[nH]2)cc1 CHEMBL5421032 IC50 490.0 nM
CC(=O)Nc1ccc(-c2cc(=O)[nH]c(N)n2)cc1 CHEMBL3127138 pIC50 501.19 nM
CNc1nc(-c2ccc(OCC(C)C)c(C#N)c2)c(C#N)c(=O)[nH]1 CHEMBL3127132 pIC50 501.19 nM
Nc1nc(-c2ccc(OCC3CCOC3)cc2)cc(=O)[nH]1 CHEMBL3127129 pIC50 501.19 nM
CC(C)COc1ccc(-c2cc(O)nc(N)n2)cc1 CHEMBL2205498 pIC50 501.19 nM
COc1ccc(-n2cnc3c(O)nc(N)nc32)cc1 CHEMBL3247909 log(1/IC50) 501.19 nM
CC(C)CCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1[N+](=O)[O-] CHEMBL4170515 IC50 510.0 nM
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 CHEMBL28 Ki 520.0 nM
CC(C)CCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1I CHEMBL4174606 IC50 527.0 nM
CCCCc1nc2c3cn[nH]c3[nH]c(=O)n2n1 CHEMBL4084626 IC50 529.0 nM
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O CHEMBL90568 IC50 530.0 nM
O=Cc1cc(Cl)ccc1-c1ccc(-c2nnn[nH]2)cc1 CHEMBL5407212 IC50 540.0 nM
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 CHEMBL151 IC50 550.0 nM
C#CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21 CHEMBL5183261 IC50 550.0 nM
COC(=O)[C@H]1C[C@@H](n2cc(-c3ccccc3)nn2)[C@H](O)C[C@H]1C(=O)OC CHEMBL5418706 IC50 586.0 nM
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cccs1 CHEMBL5412360 IC50 590.0 nM
O=C(O)CCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 CHEMBL3594380 IC50 600.0 nM
CC(C)=CCc1cc(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)cc1O CHEMBL115452 IC50 600.0 nM
CC(C)CCn1cc(C#N)c2cc(-c3nccc(O)n3)ccc21 CHEMBL5180867 IC50 600.0 nM
O=c1cc(-c2ccc(F)cc2)oc2c1ccc1ccccc12 CHEMBL359819 IC50 620.0 nM
N#Cc1cn(C2CCCC2)c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc12 CHEMBL5407581 IC50 620.0 nM
Nc1nc(-c2cccc(C(F)(F)F)c2)cc(=O)[nH]1 CHEMBL3127121 pIC50 630.96 nM
C=C1c2[nH]c3ccccc3c2CN2CC[C@H]1/C(=C\C)C2 CHEMBL285671 IC50 650.0 nM
Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21 CHEMBL5197267 IC50 650.0 nM
CC(C)Oc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1Br CHEMBL4169770 IC50 674.0 nM
O=C(Nc1ccc(O)cc1)c1c(O)[nH]c(=S)[nH]c1=O CHEMBL3971355 IC50 680.0 nM
O=C(O)c1cc(-c2ccc(-c3nnn[nH]3)cc2)ccc1Cl CHEMBL5424178 IC50 720.0 nM
N#Cc1cc(-c2ncc(C(=O)O)cn2)ccc1OCc1ccncc1 CHEMBL5169480 IC50 725.0 nM
CCc1nc2c3cn[nH]c3[nH]c(=O)n2n1 CHEMBL4079261 IC50 782.0 nM
Nc1nc(-c2ccc(OCc3ccccc3)cc2)cc(=O)[nH]1 CHEMBL3127126 pIC50 794.33 nM
N#Cc1cc(-c2cc(=O)[nH]c(N)n2)cc(C(F)(F)F)c1 CHEMBL3127125 pIC50 794.33 nM
N#Cc1cccc(-c2cc(=O)[nH]c(N)n2)c1 CHEMBL3127120 pIC50 794.33 nM
N#Cc1c(O)nc(N)nc1-c1ccccc1 CHEMBL563498 pIC50 794.33 nM
Nc1nc(O)c(Cl)c(-c2ccccc2)n1 CHEMBL301856 pIC50 794.33 nM
O=c1[nH]cnc2nc(-c3ccc(Br)cc3)cn12 CHEMBL3127141 pIC50 794.33 nM
CC(C)COc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1Br CHEMBL4162507 IC50 798.0 nM
N#Cc1cn(Cc2ccccc2F)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12 CHEMBL5172727 IC50 800.0 nM
O=C(O)COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 CHEMBL3594379 IC50 820.0 nM
N#Cc1cn(Cc2ccccc2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12 CHEMBL5186954 IC50 820.0 nM
O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12 CHEMBL117 IC50 840.0 nM
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O CHEMBL399121 IC50 840.0 nM
N#Cc1cn(Cc2ccccc2Cl)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12 CHEMBL5198511 IC50 880.0 nM
Oc1nc2nc(S)nc-2c2n1CCCS2 CHEMBL315625 Ki 890.0 nM
COc1ccc(Cn2cc(C#N)c3cc(NC(=O)c4cc(=O)[nH]cn4)ccc32)cc1 CHEMBL5206013 IC50 920.0 nM
c1ncc(-c2ccc(-c3nnn[nH]3)cc2)cn1 CHEMBL5413164 IC50 920.0 nM
COc1cc(-c2cc(O)nc(N)n2)ccc1OCC(C)C CHEMBL2205507 IC50 950.0 nM
N#Cc1cn(CC2CCCCC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12 CHEMBL5193465 IC50 970.0 nM
Nc1nc(-c2ccc(OCCCCO)cc2)cc(=O)[nH]1 CHEMBL3127128 pIC50 1000.0 nM
Nc1nc(=O)c(Br)c(-c2ccccc2)[nH]1 CHEMBL37387 pIC50 1000.0 nM