CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL388978 IC50 0.0307 nM
CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 CHEMBL1980995 pKi 3.162 nM
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21 CHEMBL573578 IC50 8.0 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 9.0 nM
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O CHEMBL603469 Kd 10.0 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 15.0 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 20.0 nM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)C(=O)O CHEMBL2335444 IC50 30.0 nM
O=C(O)Cc1ccc(O)cc1Nc1c(Cl)cccc1Cl CHEMBL5175277 Ki 35.0 nM
Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1 CHEMBL1988581 pKi 39.81 nM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(C)C)C(C)C)C(=O)O CHEMBL2335442 IC50 40.0 nM
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 CHEMBL1789941 Kd 46.0 nM
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C CHEMBL2335479 IC50(app) 50.0 nM
NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1 CHEMBL1980407 pKi 63.1 nM
Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1 CHEMBL1231206 IC50 70.0 nM
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C CHEMBL535 Kd 80.0 nM
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21 CHEMBL264406 IC50 97.0 nM
OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 CHEMBL1986943 pKi 158.49 nM
N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 CHEMBL2002099 pKi 158.49 nM
CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C CHEMBL1990885 pKi 158.49 nM
CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1 CHEMBL1988141 pKi 158.49 nM
NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 CHEMBL1973720 pKi 199.53 nM
NC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])o3)cn2c1 CHEMBL1973359 pKi 199.53 nM
O=C(O)Cc1ccc(O)cc1Oc1ccccc1Cl CHEMBL5191835 Kd 219.0 nM
O=C(O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl CHEMBL5196669 Kd 219.0 nM
CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F CHEMBL1977138 pKi 251.19 nM
COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)[nH]n2)ccc1O CHEMBL180239 IC50 290.0 nM
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 CHEMBL1287853 Kd 300.0 nM
CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)n[nH]1 CHEMBL2007421 pKi 316.23 nM
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12 CHEMBL379218 Kd 320.0 nM
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 CHEMBL1721885 Kd 350.0 nM
O=C(O)Cc1ccc(O)cc1Oc1ccccc1 CHEMBL5181927 Kd 353.0 nM
COc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC CHEMBL1991078 pKi 398.11 nM
NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12 CHEMBL1981133 pKi 398.11 nM
CN(C)C1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 CHEMBL1969151 pKi 398.11 nM
CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21 CHEMBL1991734 pKi 501.19 nM
O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12 CHEMBL1996510 pKi 501.19 nM
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 CHEMBL509032 pKi 630.96 nM
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl CHEMBL1993661 pKi 630.96 nM
Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1 CHEMBL5198167 Kd 670.0 nM
COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)on2)ccc1O CHEMBL181529 IC50 680.0 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 690.0 nM
O=C(O)/C=C1\CCCc2cc(-c3ccccc3)ccc2C1O CHEMBL5170093 Kd 757.0 nM
COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccccc2)cc1 CHEMBL4556306 IC50 790.0 nM
NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1 CHEMBL1982711 pKi 794.33 nM
Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1 CHEMBL1972346 pKi 794.33 nM
COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc(C3CCCCC3)cc2)cc1 CHEMBL4572769 IC50 810.0 nM
COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCC2)c2ccccc2)cc1 CHEMBL4515601 IC50 840.0 nM
C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F CHEMBL1908394 Kd 1000.0 nM
Cc1ccccc1-c1c(-c2ccc3[nH]nc(N)c3c2)nnn1Cc1ccccc1 CHEMBL2000029 pKi 1000.0 nM
COCOc1cccc(OCOC)c1-c1ccc(NS(C)(=O)=O)cc1C(=O)OC CHEMBL2004025 pKi 1000.0 nM
COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12 CHEMBL1972355 pKi 1000.0 nM
COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1 CHEMBL1975903 pKi 1000.0 nM
O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2 CHEMBL1983980 pKi 1000.0 nM
N#Cc1ccc(N2CC[C@@H](Nc3c(C(N)=O)cnc4[nH]ccc34)[C@@H](F)C2)nc1 CHEMBL3593777 IC50 1000.0 nM
CN1C(=O)[C@@H](N2CCc3cn(CC4CCS(=O)(=O)CC4)nc3C2=O)COc2ccccc21 CHEMBL4097778 pIC50 1000.0 nM