CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL388978 Kd 0.05 nM
CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL1980995 pKi 0.1995 nM
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl CHEMBL458997 pKi 1.259 nM
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl CHEMBL1993661 pKi 1.259 nM
CCOc1ccc2c(-c3ccc(C(=O)O)c(C(C)C)c3)ncnc2c1 CHEMBL5421767 IC50 1.4 nM
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(-c3ccc(C(N)=O)cc3)ccnc2[nH]1 CHEMBL4126095 pIC50 1.585 nM
COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL416056 Ki 1.8 nM
COc1ccccc1-c1cc2c(-c3ccc(C(N)=O)c(C4CCCC4)c3)ccnc2[nH]1 CHEMBL4128577 pIC50 1.995 nM
COc1ccccc1Nc1nccc(-c2ccc(C(=O)O)c(C(C)C)c2)n1 CHEMBL4129590 pIC50 1.995 nM
CO[C@@H]1[C@H](NCCOCCOCCOCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL4465866 Kd 2.0 nM
O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1 CHEMBL558642 IC50 2.3 nM
CCOc1cc(F)c2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)ncnc2c1 CHEMBL5439578 IC50 2.5 nM
CC(C)c1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O CHEMBL4127245 pIC50 3.981 nM
CCOc1cc(F)c2c(-c3ccc(C(=O)O)c(C(C)C)c3)ncnc2c1 CHEMBL5431962 IC50 4.0 nM
O=C(O)c1ccc(-c2csc3ncc(-c4ccccc4)cc23)cc1C1CCCC1 CHEMBL4875005 IC50 5.0 nM
CO[C@@H]1[C@H](N(C)CCOCCOCCOCCNC(=O)CCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL4576489 Kd 6.0 nM
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(-c3ccc(C#N)c(C(C)C)c3)ccnc2[nH]1 CHEMBL4128540 pIC50 6.31 nM
CCOc1ccc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)ncnc2c1 CHEMBL5426746 IC50 7.0 nM
CCOc1cc2ncnc(-c3ccc(C(=O)O)c(C4CCCC4)c3)c2cc1F CHEMBL5396413 IC50 7.0 nM
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(-c3ccc(C(N)=O)c(C(C)C)c3)ccnc2[nH]1 CHEMBL4126511 pIC50 7.943 nM
COc1ccccc1Nc1ncc(F)c(-c2ccc(C(=O)O)c(C(C)C)c2)n1 CHEMBL4129219 pIC50 7.943 nM
O=C(O)c1ccc(-c2ccnc3[nH]c(-c4ccccc4)nc23)cc1C1CCCC1 CHEMBL4870467 IC50 8.1 nM
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1 CHEMBL5422255 IC50 9.0 nM
O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 CHEMBL265470 IC50 10.0 nM
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 CHEMBL509032 Kd 11.0 nM
O=C(O)c1ccc(-c2ncnc3ccc(-c4ccccc4)cc23)cc1C1CCCC1 CHEMBL4849143 IC50 12.0 nM
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(-c3ccc(C#N)c(C(C)C)c3)ccnc2[nH]1 CHEMBL4128459 pIC50 12.59 nM
Cc1c(CN2CCOCC2)cccc1-c1cc2c(-c3ccc(C(N)=O)cc3)ccnc2[nH]1 CHEMBL4128939 pIC50 12.59 nM
CS(=O)(=O)Nc1cccc(-c2cc3c(-c4ccc(C(N)=O)cc4)ccnc3[nH]2)c1 CHEMBL4127977 pIC50 12.59 nM
CS(=O)(=O)Nc1ccc(-c2cc3c(-c4ccc(C(N)=O)cc4)ccnc3[nH]2)cc1 CHEMBL4128114 pIC50 12.59 nM
CN(C)CCCNC(=O)c1cccc(-c2cc3c(-c4ccc(C(N)=O)cc4)ccnc3[nH]2)c1 CHEMBL4126740 pIC50 12.59 nM
CN(C)CCCNC(=O)c1ccc(-c2cc3c(-c4ccc(C(N)=O)cc4)ccnc3[nH]2)cc1 CHEMBL4127140 pIC50 12.59 nM
O=C(O)c1ccc(-c2ccnc3ccccc23)cc1C1CCCC1 CHEMBL4852523 IC50 13.0 nM
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O CHEMBL603469 Kd 15.0 nM
CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4ccccc43)c3ccccc3)cc2)CC1 CHEMBL1908392 Ki 15.0 nM
Cc1c(OCCN2CCOCC2)cccc1-c1cc2c(-c3ccc(C(N)=O)cc3)ccnc2[nH]1 CHEMBL4128717 pIC50 15.85 nM
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(-c3ccc(C(N)=O)cc3)ccnc2[nH]1 CHEMBL4127330 pIC50 15.85 nM
N#Cc1ccc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)c[nH]c2n1 CHEMBL4127064 pIC50 15.85 nM
CCc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O CHEMBL550110 pIC50 19.95 nM
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(-c3ccc(C(N)=O)c(C(C)C)c3)ccnc2[nH]1 CHEMBL4129791 pIC50 19.95 nM
COc1ccccc1-c1cc2c(-c3ccc(C(N)=O)cc3)ccnc2[nH]1 CHEMBL4129362 pIC50 19.95 nM
NC(=O)c1ccc(-c2ccnc(Nc3cc(-c4ccccc4)ccc3F)n2)cc1 CHEMBL4129843 pIC50 19.95 nM
O=C(O)CSc1ncnc2cc(-c3cc4ccccc4s3)sc12 CHEMBL4752776 Kd 21.0 nM
O=C(O)c1ccc(-c2cnn3ccc(-c4ccccc4)nc23)cc1C1CCCC1 CHEMBL4877552 IC50 21.0 nM
O=C(O)c1ccc(-c2ccncn2)cc1C1CCCC1 CHEMBL4876404 IC50 21.0 nM
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 CHEMBL513909 Kd 23.0 nM
O=C(O)c1ccc(-c2ncnc3ccsc23)cc1C1CCCC1 CHEMBL4862562 IC50 24.0 nM
CC(C)Cc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O CHEMBL564555 pIC50 25.12 nM
Cc1cc(CN2CCOCC2)ccc1-c1cc2c(-c3ccc(C(N)=O)cc3)ccnc2[nH]1 CHEMBL4130310 pIC50 25.12 nM
CN(C)Cc1ccc(-c2cc3c(-c4ccc(C(N)=O)cc4)ccnc3[nH]2)cc1 CHEMBL4125907 pIC50 25.12 nM
NC(=O)c1ccc(-c2ccnc(Nc3cccc(-c4ccccc4)c3)n2)cc1 CHEMBL4126566 pIC50 25.12 nM
O=C(O)c1ccc(-c2c[nH]c3ncccc23)cc1C1CCCC1 CHEMBL4125686 IC50 26.0 nM
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O CHEMBL574737 Kd apparent 30.0 nM
Cc1cccc(-c2cnc3occ(-c4ccc(C(=O)O)c(C5CCCC5)c4)c3c2)c1 CHEMBL4745471 IC50 30.0 nM
COC(=O)c1ccc2c(c1)/C(=C(/Nc1ccc(N(C)C(=O)CN3CCN(C)CC3)cc1)c1ccccc1)C(=O)N2 CHEMBL4062168 Ki 31.0 nM
O=C(O)c1ccc(-c2ncnc3sccc23)cc1C1CCCC1 CHEMBL4853274 IC50 31.0 nM
Cc1ccc(OCCN2CCOCC2)cc1-c1cc2c(-c3ccc(C(N)=O)cc3)ccnc2[nH]1 CHEMBL4127479 pIC50 31.62 nM
CN(C)Cc1cccc(-c2cc3c(-c4ccc(C(N)=O)cc4)ccnc3[nH]2)c1 CHEMBL4125774 pIC50 31.62 nM
O=C(O)c1ccc(-c2cnn3ccccc23)cc1C1CCCC1 CHEMBL4851925 IC50 44.0 nM
CCOc1cc2ncnc(-c3ccc(C(=O)O)c(C(C)C)c3)c2cc1F CHEMBL5397685 IC50 50.0 nM
Cc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)O CHEMBL4128483 pIC50 50.12 nM
O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1 CHEMBL4126272 pIC50 50.12 nM
O=C(O)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C1CCCC1 CHEMBL4857253 IC50 51.0 nM
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 CHEMBL4063500 IC50 53.0 nM
Cn1ccc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)ccnc21 CHEMBL4873692 IC50 56.0 nM
Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1 CHEMBL1972346 pKi 63.1 nM
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F CHEMBL191003 pKi 63.1 nM
O=C(O)c1ccc(-c2coc3ncc(-c4ccccc4)cc23)cc1C1CCCC1 CHEMBL4866741 IC50 65.0 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 73.0 nM
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 CHEMBL450786 Kd 73.0 nM
CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4ccc(C(=O)O)cc43)c3ccccc3)cc2)CC1 CHEMBL4089284 Ki 85.0 nM
O=C(O)c1ccc(-c2ncnc3ccccc23)cc1C1CCCC1 CHEMBL4878827 IC50 96.0 nM
NC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4Oc4ccccc4)cc23)cc1 CHEMBL4130255 pIC50 100.0 nM
O=C(O)c1ccc(-c2ccnc(Nc3cccc(-c4ccccc4)c3)n2)cc1 CHEMBL4127319 pIC50 100.0 nM
Nc1nccc(-c2ccc(C(=O)O)c(C3CCCC3)c2)n1 CHEMBL4857601 IC50 108.0 nM
Cn1c(-c2ccccc2)cc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)ccnc21 CHEMBL4869147 IC50 120.0 nM
O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 CHEMBL1182777 IC50 120.0 nM
CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4ccc(C(=O)O)cc4)c3c2)c1 CHEMBL546682 pIC50 125.89 nM
NC(=O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4O)cc23)cc1C1CCCC1 CHEMBL4128950 pIC50 125.89 nM
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1 CHEMBL3688339 Kd apparent 126.0 nM
CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1 CHEMBL2105728 Kd apparent 135.0 nM
O=C(O)c1ccc(-c2ccnc3ccc(-c4ccccc4)cc23)cc1C1CCCC1 CHEMBL4877634 IC50 137.0 nM
O=C(O)c1ccc(-c2cnn3ccc(-c4ccccc4)cc23)cc1C1CCCC1 CHEMBL4851892 IC50 145.0 nM
Cc1cccc(Nc2nc(NC3CCCCC3N)cnc2C(N)=O)c1 CHEMBL1974328 pKi 158.49 nM
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 CHEMBL522892 pKi 158.49 nM
O=C(O)c1ccc(-c2ncnc3cc(-c4ccccc4)sc23)cc1C1CCCC1 CHEMBL4854650 IC50 169.0 nM
O=C(O)c1ccc(-c2ccnc3[nH]cnc23)cc1C1CCCC1 CHEMBL4863974 IC50 193.0 nM
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C CHEMBL1233528 Kd apparent 195.0 nM
CCc1ccc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2c1 CHEMBL2441273 pIC50 199.53 nM
O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1 CHEMBL550795 pIC50 199.53 nM
CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)cc4)c3c2)c1 CHEMBL4127706 pIC50 199.53 nM
COc1ccccc1-c1cnc2[nH]cc(-c3ccc(C(N)=O)c(C4CCCC4)c3)c2c1 CHEMBL4126332 pIC50 199.53 nM
O=C(O)c1cc(NCc2cc(O)ccc2O)ccc1O CHEMBL319620 IC50 200.0 nM
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 CHEMBL574738 Kd 220.0 nM
O=C(O)c1ccc(-c2ncnc3sc(-c4ccccc4)cc23)cc1C1CCCC1 CHEMBL4857706 IC50 232.0 nM
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(-c3ccc(C#N)cc3)ccnc2[nH]1 CHEMBL4127076 pIC50 251.19 nM
COc1ccc(-c2ccccc2)cc1Nc1nccc(-c2ccc(C(N)=O)cc2)n1 CHEMBL4128625 pIC50 251.19 nM
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O CHEMBL1084546 pKi 316.23 nM
COc1ccccc1Nc1ncc(F)c(-c2ccc(C(N)=O)c(C(C)C)c2)n1 CHEMBL4127797 pIC50 316.23 nM
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 CHEMBL428690 Kd 320.0 nM
c1ccc(-c2cnc3[nH]cc(-c4ccc(-n5cnnn5)cc4)c3c2)cc1 CHEMBL4129709 pIC50 398.11 nM
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(-c3ccc(C#N)cc3)ccnc2[nH]1 CHEMBL4129941 pIC50 398.11 nM
NC(=O)c1ccc(-c2c[nH]c3ncccc23)cc1 CHEMBL4126920 pIC50 398.11 nM
O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 CHEMBL1908397 Kd 470.0 nM
Cc1ccc(-c2ccccc2)cc1Nc1nccc(-c2ccc(C(N)=O)cc2)n1 CHEMBL4129991 pIC50 501.19 nM
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1 CHEMBL5394508 EC50 510.0 nM
CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 CHEMBL402548 Kd apparent 521.0 nM
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1 CHEMBL5416036 EC50 530.0 nM
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1 CHEMBL5412289 EC50 620.0 nM
CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C CHEMBL1990885 pKi 630.96 nM
Cc1ccc2c(-c3ccc(C(=O)O)c(C4CCCC4)c3)c[nH]c2n1 CHEMBL4128151 pIC50 630.96 nM
CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)c1 CHEMBL4062218 IC50 680.0 nM
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 CHEMBL379218 Kd 740.0 nM
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl CHEMBL288441 Kd 780.0 nM
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 CHEMBL1240703 Kd 790.0 nM
CC(C)c1cc(-c2c[nH]c3nc(C#N)ccc23)ccc1C(=O)O CHEMBL4129130 pIC50 794.33 nM
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1 CHEMBL502835 Kd 920.0 nM
CN1C(=O)[C@@H](N2CCc3cn(CC4CCS(=O)(=O)CC4)nc3C2=O)COc2ccccc21 CHEMBL4097778 pIC50 1000.0 nM