C[C@@](N)(Cc1ccc(O)cc1)C(=O)O CHEMBL1368961 Potency 2.8 nM
CCCC[S@](=N)(=O)CC[C@@H](N)C(=O)O CHEMBL1413401 Potency 2.8 nM
O=C(O)CCCCCCCC(=O)O CHEMBL1238 Potency 2.8 nM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O CHEMBL23293 Potency 3.2 nM
O=C1[C@@H]2C=CC=CC2=NC(=S)N1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 CHEMBL1373139 Potency 3.5 nM
CNCCCCCNCCC1C[C@H]2CCC[C@@H](C1)C2 CHEMBL1437832 Potency 3.5 nM
COc1cc(CC(=O)O)ccc1O CHEMBL1562 Potency 3.5 nM
N=C(N)NN CHEMBL225304 Potency 3.5 nM
O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 CHEMBL1317446 Potency 3.5 nM
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C CHEMBL1521453 Potency 3.5 nM
CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21 CHEMBL1255939 Potency 3.5 nM
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1 CHEMBL2062342 Potency 3.5 nM
COc1ccc(CCN)cc1O CHEMBL1492473 Potency 3.5 nM
C[C@@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)[C@@H]1CC[C@H]2C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 CHEMBL1448859 Potency 4.0 nM
CC(C)(C)NC[C@H](O)c1ccccc1Cl CHEMBL1607062 Potency 5.0 nM
CC[C@H]1C(=O)OC[C@H]1Cc1cncn1C CHEMBL611494 Potency 6.3 nM
Cn1ccnc1 CHEMBL543 Potency 6.3 nM
CN(N=O)c1cc(O)ccc1O CHEMBL269733 Potency 7.1 nM
CCOC(=O)C1=C[C@@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@H]32 CHEMBL1360725 Potency 7.9 nM
CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 CHEMBL1496514 Potency 7.9 nM
CN1CCN(CC/C=C2\c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1 CHEMBL1336727 Potency 7.9 nM
C[C@H](N[C@@H](C)CCc1ccccc1)[C@H](O)c1ccc(O)cc1 CHEMBL1320485 Potency 8.9 nM
N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O CHEMBL279956 Potency 10.0 nM
CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]21OC(C)=O CHEMBL2373633 Potency 10.0 nM
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(O)C(=O)CO CHEMBL1354141 Potency 10.0 nM
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@@]3(O)[C@H]1C5 CHEMBL1482236 Potency 10.0 nM
NNCCc1ccccc1 CHEMBL1089 Potency 10.0 nM
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O CHEMBL527 Potency 10.0 nM
C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@@]2(C)[C@@]1(O)C(=O)CO CHEMBL1592340 Potency 10.0 nM
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1 CHEMBL1073 Potency 11.2 nM
CN(C)CC[C@H](c1ccc(Cl)cc1)c1ccccn1 CHEMBL1554789 Potency 12.6 nM
CN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 CHEMBL416288 Potency 12.6 nM
COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1 CHEMBL9514 Potency 12.6 nM
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO CHEMBL389621 Potency 14.1 nM
COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1 CHEMBL72631 Potency 17.8 nM
CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2cccc(Cl)c2)C1 CHEMBL1476075 Potency 17.8 nM
CN(C(=O)Cc1ccccc1)[C@@H]1CC[C@@]2(CCCO2)C[C@H]1N1CCCC1 CHEMBL1553428 Potency 17.8 nM
Cc1nnc2cc(-c3ccc(C(F)(F)F)cc3)cnn12 CHEMBL1323714 Potency 20.0 nM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO CHEMBL110739 Potency 20.0 nM
C[C@]12CC3CC(N)(C1)C[C@@](C)(C3)C2 CHEMBL1329218 Potency 22.4 nM
OCCN1CCN(CC/C=C2\c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 CHEMBL42055 Potency 22.4 nM
Cc1cc2c(cc1Cl)N(C(=O)Nc1cccc3ncccc13)CC2 CHEMBL2110371 Potency 25.1 nM
CCCN1CCC[C@H](c2cccc(O)c2)C1 CHEMBL7393 Potency 25.1 nM
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N CHEMBL255044 Potency 28.2 nM
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F CHEMBL1451 Potency 28.2 nM
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 CHEMBL583912 Potency 28.2 nM
CN1C(C)(C)CCCC1(C)C CHEMBL1256139 Potency 28.2 nM
CC1(C)C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 CHEMBL1400238 Potency 31.6 nM
CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)SCC)c1CCC CHEMBL111545 Potency 31.6 nM
CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1 CHEMBL1400543 Potency 35.5 nM
CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1 CHEMBL343633 Potency 39.8 nM
Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 CHEMBL136737 Potency 39.8 nM
COc1cc(C[C@H](C)N)c(OC)cc1I CHEMBL1434583 Potency 44.7 nM
Cc1sc2ccccc2c1CC1=NCCN1 CHEMBL1370446 Potency 44.7 nM
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F CHEMBL336546 IC50 50.0 nM
CC(C)NC[C@H](O)c1ccc(O)c(O)c1 CHEMBL1160723 Potency 50.1 nM
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 CHEMBL1370 Potency 56.2 nM
Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1 CHEMBL405845 Potency 63.1 nM
O=C([O-])CC[C@@H](NC(=O)c1ccccc1C(=O)[O-])C(=O)[O-] CHEMBL1314622 Potency 70.8 nM
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O CHEMBL1182747 Potency 70.8 nM
COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1 CHEMBL438139 IC50 75.0 nM
C=C1C[C@]23C[C@@]1(O)CC[C@@H]2c1cccc(C)c1[C@@H]3C(=O)O CHEMBL2359602 Kd 76.0 nM
Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1 CHEMBL1436121 Potency 79.4 nM
COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H](O)CC[C@H]12 CHEMBL1512582 Potency 89.1 nM
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccccc1 CHEMBL1256943 Potency 100.0 nM
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@@H](O)C[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O CHEMBL1512393 Potency 100.0 nM
S=C(Nc1ccccc1)Nc1nccs1 CHEMBL1256364 Potency 112.2 nM
O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O CHEMBL1400884 Potency 112.2 nM
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl CHEMBL375270 Potency 112.2 nM
CCCCCCCC/C=C\CCCCCCCC(=O)NCCO CHEMBL280065 Potency 112.2 nM
NCCCP(=O)(O)O CHEMBL286077 Potency 112.2 nM
c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1 CHEMBL1371770 Potency 112.2 nM
c1ccc([C@@H]2CN3CCSC3=N2)cc1 CHEMBL1369896 Potency 125.9 nM
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl CHEMBL254609 Potency 125.9 nM
COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1 CHEMBL15928 Potency 141.3 nM
Cn1c(=O)c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2n(C)c1=O CHEMBL8488 Potency 141.3 nM
O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1 CHEMBL219916 Potency 141.3 nM
O=C(O)/C=C/c1ccc(O)c(O)c1 CHEMBL145 Potency 141.3 nM
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O CHEMBL1418590 Potency 141.3 nM
NNCc1cccc(O)c1 CHEMBL352205 Potency 141.3 nM
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 CHEMBL1256696 Potency 141.3 nM
C[S@](=N)(=O)CC[C@@H](N)C(=O)O CHEMBL1552247 Potency 158.5 nM
C[C@H]1CCC/C=C/[C@@H]2C[C@@H](O)C[C@]2(O)C/C=C\C(=O)O1 CHEMBL2373603 Potency 158.5 nM
CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 CHEMBL131636 IC50 170.0 nM
COc1ccc(CCNC[C@H](O)c2ccc(O)cc2)cc1OC CHEMBL493682 Potency 177.8 nM
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@@]3(C)[C@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@]2(C)O1 CHEMBL1398667 Potency 177.8 nM
CCN1/C(=C/C(C)=O)Sc2ccc(OC)cc21 CHEMBL408982 Potency 177.8 nM
C[C@@H](Cc1ccc2c(c1)OC(C(=O)[O-])(C(=O)[O-])O2)NC[C@H](O)c1cccc(Cl)c1 CHEMBL1607250 Potency 199.5 nM
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@@H]4[C@@H](O)C[C@]5(C)[C@H]([C@@H]6COC(=O)C6)CC[C@@]5(O)[C@H]4CC[C@@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O CHEMBL1411296 Potency 199.5 nM
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O CHEMBL1232952 Kd 216.0 nM
CC(C)Cc1ccc(C(C)C(=O)O)cc1 CHEMBL521 Potency 223.9 nM
C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 CHEMBL1367478 Potency 223.9 nM
Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1 CHEMBL585 Potency 223.9 nM
C[C@@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-] CHEMBL1512111 Potency 223.9 nM
O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)c1 CHEMBL216504 Potency 223.9 nM
NCCNS(=O)(=O)c1cccc2cnccc12 CHEMBL344314 Potency 251.2 nM
CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O CHEMBL1394757 Potency 251.2 nM
N=C(N)NCCC[C@H](N)C(=O)O CHEMBL1485 Potency 251.2 nM
CCOC(=O)[C@@]12C[C@@H]1/C(=N/O)c1ccccc1O2 CHEMBL1323836 Potency 251.2 nM
CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 CHEMBL1406446 Potency 251.2 nM
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC CHEMBL22 Potency 251.2 nM
CCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 CHEMBL134490 IC50 280.0 nM
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 CHEMBL54 Potency 281.8 nM
O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1 CHEMBL1356870 Potency 281.8 nM
CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)Cc1ccccc1-2 CHEMBL10009 Potency 281.8 nM
S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1 CHEMBL260374 Potency 316.2 nM
C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C CHEMBL1325592 Potency 316.2 nM
CC(=N)NCc1cccc(CN)c1 CHEMBL107251 Potency 316.2 nM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@@H]3SC2)s1 CHEMBL1475140 Potency 316.2 nM
NCCCCN=C(N)N CHEMBL58343 Potency 354.8 nM
c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1 CHEMBL303336 Potency 354.8 nM
C[C@H](N)Cc1c[nH]c2ccc(O)cc12 CHEMBL1416204 Potency 354.8 nM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1 CHEMBL413376 Potency 354.8 nM
O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cl)nc1C(F)(F)F CHEMBL135133 IC50 380.0 nM
N=C(NO)NCCC[C@H](N)C(=O)O CHEMBL260629 Potency 398.1 nM
Cn1cnc2c(NC3CCCC3)ncnc21 CHEMBL48278 Potency 398.1 nM
O=C(O)Cc1c[nH]cn1 CHEMBL784 Potency 398.1 nM
C[C@@H](COc1ccccc1)N(CCCl)Cc1ccccc1 CHEMBL1324405 Potency 398.1 nM
CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c(O)c1 CHEMBL1472703 Potency 398.1 nM
Ic1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 CHEMBL60518 Potency 446.7 nM
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 CHEMBL498 Potency 446.7 nM
CNc1ncnc2c1ncn2[C@H]1C[C@@H](OP(=O)(O)O)[C@H](COP(=O)(O)O)O1 CHEMBL1567999 Potency 446.7 nM
O=c1ccc2c(OCCCCc3ccccc3)c3ccoc3cc2o1 CHEMBL1256851 Potency 446.7 nM
O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Cl)nc1C(F)(F)F CHEMBL334485 IC50 500.0 nM
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 CHEMBL376505 Potency 501.2 nM
O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2F)c([N+](=O)[O-])c1 CHEMBL1594003 Potency 501.2 nM
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1 CHEMBL288174 Potency 562.3 nM
CNC(=O)[C@@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O CHEMBL1434729 Potency 562.3 nM
O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F CHEMBL1256291 Potency 562.3 nM
CCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 CHEMBL423153 IC50 620.0 nM
CC(C)NC[C@@H](O)COc1cccc2ccccc12 CHEMBL275742 Potency 631.0 nM
O=C(O)c1ccccc1Nc1ccccc1 CHEMBL23832 Potency 631.0 nM
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C CHEMBL1190 Potency 631.0 nM
N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 CHEMBL212579 Potency 631.0 nM
C[C@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)[O-] CHEMBL1592257 Potency 631.0 nM
CC(C)NC[C@H](O)c1ccc(O)c(O)c1 CHEMBL2062275 Potency 707.9 nM
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1 CHEMBL1790041 Potency 707.9 nM
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1 CHEMBL853 Potency 794.3 nM
Cc1cccc(/C=C\c2ccccc2)n1 CHEMBL407232 Potency 794.3 nM
CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c1O CHEMBL1330502 Potency 794.3 nM
CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1 CHEMBL249856 Potency 794.3 nM
Cc1cccc(C)c1OC[C@H](C)N CHEMBL146855 Potency 794.3 nM
O=C(Nc1cc(Cl)nc(Cl)n1)c1cnc(Cl)nc1C(F)(F)F CHEMBL336099 IC50 800.0 nM
CCCCC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 CHEMBL18428 Potency 891.3 nM
CCCCC/C=C\C[C@H](O)/C=C\c1cccc(C[C@H](O)CCCCO)n1 CHEMBL1603665 Potency 891.3 nM
O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cnc(Cl)nc1C(F)(F)F CHEMBL134603 IC50 900.0 nM