C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12 CHEMBL3545181 Ki 0.0266 nM
C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL219786 Log Ki 0.1072 nM
CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 CHEMBL2449003 Ki 0.14 nM
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 CHEMBL551466 pIC50 0.1585 nM
CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 CHEMBL1910856 Ki 0.169 nM
C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL376057 Log Ki 0.1995 nM
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1 CHEMBL1201027 pIC50 0.1995 nM
CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C CHEMBL4860528 Kd 0.2 nM
CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 CHEMBL5207281 Kd 0.2 nM
N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 CHEMBL5206565 Kd 0.2 nM
C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 CHEMBL5201074 Kd 0.2 nM
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 CHEMBL376897 Log Ki 0.2089 nM
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2 CHEMBL517712 Ki 0.21 nM
C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1 CHEMBL76897 Ki 0.22 nM
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 CHEMBL1354199 Ki 0.32 nM
C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 CHEMBL375969 Log Ki 0.4074 nM
C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL4645580 pKi 0.6607 nM
C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL222259 Log Ki 0.7762 nM
CC(C)[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 CHEMBL1908368 Ki 1.04 nM
O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 CHEMBL3629360 Ki 1.1 nM
CC(=O)OCC[N+](C)(C)C CHEMBL667 EC50 1.2 nM
CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL219825 Log Ki 1.202 nM
CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 CHEMBL569713 pKi 1.288 nM
CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL385328 Log Ki 1.349 nM
CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2 CHEMBL1201203 Ki 1.451 nM
CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL4635500 pKi 1.479 nM
C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 CHEMBL569307 pKi 1.549 nM
COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 CHEMBL71124 Ki 1.66 nM
C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL2042405 pKi 1.698 nM
CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1 CHEMBL1123 Ki 1.711 nM
O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 CHEMBL4519301 Ki 1.8 nM
CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL2042553 pKi 1.82 nM
CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL2078942 pKi 1.82 nM
CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL376255 Log Ki 1.995 nM
CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL376870 Log Ki 1.995 nM
C[C@]12N[C@H](Cc3ccccc31)c1ccccc12 CHEMBL284237 IC50 2.0 nM
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 CHEMBL1382 Ki 2.2 nM
CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 CHEMBL3354068 pKi 2.291 nM
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1 CHEMBL1346 Ki 2.3 nM
CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1 CHEMBL1231 Ki 2.315 nM
CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 CHEMBL4649224 pKi 2.399 nM
CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 CHEMBL5289601 Ki 2.6 nM
CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 CHEMBL516 Ki 2.755 nM
C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL45454 Log Ki 2.818 nM
CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 CHEMBL3354069 pKi 2.951 nM
CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2 CHEMBL1621597 AC50 3.0 nM
C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL539120 pKi 3.02 nM
C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL220393 Log Ki 3.236 nM
CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 CHEMBL375073 Log Ki 3.236 nM
CC(CN1c2ccccc2Sc2ccccc21)N(C)C CHEMBL643 Ki 3.307 nM
CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 CHEMBL571121 pKi 3.311 nM
C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 CHEMBL375851 Log Ki 3.467 nM
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 CHEMBL1200871 Ki 3.864 nM
C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 CHEMBL4634230 pKi 3.89 nM
CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 CHEMBL143469 pKi 3.981 nM
C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL2042404 pKi 4.365 nM
CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL2042552 pKi 5.37 nM
CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 CHEMBL3323284 pKi 5.495 nM
CC1(C)C(/C=C/C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccccc3C2(C)C)=[N+](CCCCCC(=O)NCCCCCCCCN2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)CC2)c2ccc(S(=O)(=O)[O-])cc21 CHEMBL5271406 Ki 5.5 nM
CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 CHEMBL373515 Log Ki 5.623 nM
CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 CHEMBL3354067 pKi 5.623 nM
CN(C)CCC=C1c2ccccc2CCc2ccccc21 CHEMBL629 Ki 5.762 nM
O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 CHEMBL481153 Ki 6.0 nM
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 CHEMBL1626 Ki 6.016 nM
O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 CHEMBL3084748 pKi 6.026 nM
Cc1nccn1CC#CCOc1ccon1 CHEMBL1162116 Log Ki 6.166 nM
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2 CHEMBL479 Ki 6.643 nM
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 CHEMBL620 AC50 6.8 nM
CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 CHEMBL5273907 Ki 6.9 nM
CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 CHEMBL583051 pKi 7.079 nM
CCCCCCCCCCCCCCCC[n+]1ccccc1 CHEMBL334255 Ki 7.277 nM
CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 CHEMBL5285607 Ki 7.4 nM
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1 CHEMBL1490 Ki 8.679 nM
CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 CHEMBL3354070 pKi 8.71 nM
CCCCCCOc1nsnc1C1=CCCN(C)C1 CHEMBL21536 pKi 9.333 nM
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 CHEMBL42 Ki 9.532 nM
CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 CHEMBL5283759 Ki 9.7 nM
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1 CHEMBL715 pKi 10.0 nM
COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 CHEMBL4585326 Ki 10.0 nM
O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 CHEMBL4742721 pKi 10.0 nM
Cn1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)c1Cl CHEMBL5218711 IC50 10.0 nM
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1 CHEMBL1092 IC50 10.3 nM
CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCCN6CCC(OC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 CHEMBL5267836 Ki 11.0 nM
C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 CHEMBL569760 pKi 11.48 nM
CN(C)c1ccc2c(-c3ccc(-c4cn(CCCCCn5cc(CCCCCN6CCC(COC(=O)Nc7ccc(F)cc7-c7ccc(F)c(Cl)c7)CC6)nn5)nn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 CHEMBL5268503 Ki 12.0 nM
C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 CHEMBL568870 pKi 12.02 nM
CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 CHEMBL1223754 pEC50 12.59 nM
Cc1ncc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc4scnc4c3)[C@@H](F)C2)s1 CHEMBL5218449 IC50 13.0 nM
C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL539121 pKi 14.13 nM
C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 CHEMBL569712 pKi 15.49 nM
CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 CHEMBL3323280 pKi 16.6 nM
C[N+](C)(CCCCCC[N+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12)CCCN1C(=O)c2ccccc2C1=O CHEMBL3323283 pKi 16.98 nM
CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C CHEMBL271108 Ki 17.5 nM
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21 CHEMBL71 Ki 18.0 nM
CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 CHEMBL5289083 Ki 18.0 nM
CN(C)CCC=C1c2ccccc2COc2ccccc21 CHEMBL1628227 Ki 19.0 nM
c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 CHEMBL4128341 pKi 19.05 nM
CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 CHEMBL3323281 pKi 19.5 nM
CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 CHEMBL1223803 pEC50 19.95 nM
CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 CHEMBL1223804 pEC50 19.95 nM
Cc1ccccc1C(OCCN(C)C)c1ccccc1 CHEMBL900 Ki 20.0 nM
CNCCC=C1c2ccccc2CCc2ccccc21 CHEMBL445 Ki 20.0 nM
C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 CHEMBL3323282 pKi 20.89 nM
C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL4648939 pKi 20.89 nM
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 CHEMBL5270452 IC50 21.0 nM
CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 CHEMBL4097258 pKi 22.91 nM
CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 CHEMBL2107687 Ki 24.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 CHEMBL120119 IC50 24.8 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 CHEMBL1180285 IC50 24.8 nM
CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL493980 pKi 25.12 nM
CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 CHEMBL571341 pKi 27.54 nM
CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 CHEMBL395110 Ki 28.0 nM
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4515788 pKi 29.51 nM
O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 CHEMBL2112959 Ki 30.0 nM
COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 CHEMBL2312358 Ki 30.0 nM
Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F CHEMBL4462631 Ki 30.0 nM
C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 CHEMBL539373 pKi 30.2 nM
CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL496915 pKi 30.2 nM
CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 CHEMBL3354071 pKi 30.9 nM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4589047 pKi 30.9 nM
CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 CHEMBL4643273 pKi 30.9 nM
C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 CHEMBL583027 pKi 31.62 nM
O=C(N[C@H]1C[C@@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 CHEMBL3334991 EC50 33.0 nM
CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 CHEMBL265256 Log Ki 33.88 nM
CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 CHEMBL4448108 pKi 33.88 nM
CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 CHEMBL4455570 pKi 33.88 nM
NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 CHEMBL485913 EC50 34.3 nM
CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 CHEMBL491209 EC50 34.3 nM
C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 CHEMBL5274311 IC50 35.0 nM
[2H]C1([2H])Oc2ccc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccc5scnc5c4)C3)cc2C1([2H])[2H] CHEMBL5266790 IC50 35.0 nM
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 CHEMBL9967 Ki 35.48 nM
C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 CHEMBL4635385 pKi 35.48 nM
Cn1ccnc1SC[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F CHEMBL5204021 pIC50 35.48 nM
O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 CHEMBL2112955 Ki 37.0 nM
C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 CHEMBL569729 pKi 37.15 nM
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 CHEMBL415 Ki 38.0 nM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4454300 pKi 38.9 nM
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2 CHEMBL1319362 Ki 39.0 nM
O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4576768 Ki 40.0 nM
COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F CHEMBL4473985 Ki 40.0 nM
CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 CHEMBL5277670 Ki 40.0 nM
Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 CHEMBL4744233 pKi 40.74 nM
C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL541671 pKi 41.69 nM
CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 CHEMBL541584 IC50 42.5 nM
CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(OC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 CHEMBL5289667 Ki 43.0 nM
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 CHEMBL1734 pKi 43.65 nM
c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 CHEMBL4129580 pKi 45.71 nM
CN(C)CCCN1c2ccccc2Sc2ccccc21 CHEMBL564 Ki 46.0 nM
O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 CHEMBL5277011 IC50 47.0 nM
C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 CHEMBL4648444 pKi 47.86 nM
O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 CHEMBL3354078 pKi 48.98 nM
CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 CHEMBL1223860 pEC50 50.12 nM
Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2 CHEMBL845 Ki 51.0 nM
Cc1nccn1CC#CCN1CCCC1=O CHEMBL77793 Log Ki 51.29 nM
CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 CHEMBL332980 IC50 54.1 nM
CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 CHEMBL576707 pKi 54.95 nM
C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL4648229 pKi 54.95 nM
O=C1CCCN1CC#CCN1CCCC1 CHEMBL7634 EC50 55.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 CHEMBL120472 IC50 56.2 nM
CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 CHEMBL120080 IC50 57.9 nM
O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 CHEMBL2112958 Ki 58.0 nM
CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL493979 pKi 58.88 nM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4582069 pKi 58.88 nM
O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 CHEMBL5219163 IC50 59.0 nM
CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 CHEMBL2312361 Ki 60.0 nM
O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4446039 Ki 60.0 nM
CN1CCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)CC1 CHEMBL4472832 Ki 60.0 nM
CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 CHEMBL324936 IC50 63.0 nM
CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 CHEMBL335542 Log Ki 63.1 nM
Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 CHEMBL205654 Log Ki 63.1 nM
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1 CHEMBL1200604 Ki 64.0 nM
COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC CHEMBL4580590 Ki 65.0 nM
CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 CHEMBL171102 Log Ki 66.07 nM
C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 CHEMBL4649420 pKi 69.18 nM
CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL4644285 pKi 69.18 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4569639 pKi 70.79 nM
Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 CHEMBL4754371 pKi 70.79 nM
Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 CHEMBL4448933 pKi 72.44 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4562770 pKi 74.13 nM
CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 CHEMBL1909073 Ki 77.0 nM
CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 CHEMBL4079233 pKi 77.62 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 CHEMBL262198 IC50 78.1 nM
CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(F)c2)C1 CHEMBL2312370 Ki 80.0 nM
O=C(OCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4451770 Ki 80.0 nM
CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL2042554 pKi 81.28 nM
CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL2078987 pKi 81.28 nM
CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 CHEMBL2164905 IC50 82.0 nM
CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 CHEMBL257431 Ki 83.0 nM
Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N CHEMBL12098 Ki 85.0 nM
CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 CHEMBL121059 IC50 85.4 nM
C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C(=O)Nc1ccc2scnc2c1 CHEMBL5274220 IC50 87.0 nM
CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 CHEMBL434684 Log Ki 87.1 nM
C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 CHEMBL3323279 pKi 87.1 nM
Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 CHEMBL490 Ki 89.0 nM
Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CHEMBL5179833 IC50 93.0 nM
Cc1cnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1C CHEMBL5188559 pIC50 93.33 nM
C[C@@H]1C[C@@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 CHEMBL5218587 IC50 94.0 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4554682 pKi 95.5 nM
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 CHEMBL221753 Ki 96.0 nM
CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 CHEMBL2112589 IC50 96.8 nM
CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 CHEMBL576663 pKi 97.72 nM
CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1 CHEMBL1633 Ki 98.53 nM
COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 CHEMBL376295 Log Ki 100.0 nM
COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 CHEMBL386983 Log Ki 100.0 nM
CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 CHEMBL608151 pKi 100.0 nM
O=C(OCCCc1ccc(F)c(F)c1)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4577453 Ki 100.0 nM
CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 CHEMBL3354066 pKi 102.33 nM
CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 CHEMBL571123 pKi 104.71 nM
COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 CHEMBL127273 Ki 105.0 nM
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4scnc4c3)CC2)cn1 CHEMBL5218928 IC50 105.0 nM
C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL2042406 pKi 107.15 nM
CC1COc2ccc(S(=O)(=O)N3CCC(C(=O)Nc4ccc5scnc5c4)CC3)cc21 CHEMBL5218597 IC50 109.0 nM
CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 CHEMBL4471882 pKi 109.65 nM
CC(C)Oc1noc2c1CNCCC2 CHEMBL305264 EC50 110.0 nM
CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(S(C)(=O)=O)cc2)C1 CHEMBL2312368 Ki 110.0 nM
O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CHEMBL5219691 IC50 111.0 nM
c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 CHEMBL4126290 pKi 112.2 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4540949 pKi 112.2 nM
CNCCCC12CCC(c3ccccc31)c1ccccc12 CHEMBL21731 Ki 115.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 CHEMBL121520 IC50 115.4 nM
CN(C)CCOC(c1ccccc1)c1ccccc1 CHEMBL657 Ki 116.0 nM
CCn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CHEMBL5172903 IC50 119.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccc3c(c2)OCO3)C1 CHEMBL2312378 Ki 120.0 nM
CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 CHEMBL519609 Ki 120.0 nM
CC(C)(C)CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 CHEMBL3329764 EC50 120.0 nM
O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CC1 CHEMBL3329765 EC50 120.0 nM
C[N+](C)(C)CC#CCOC1=NOCC1 CHEMBL3323286 pKi 120.23 nM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4555411 pKi 120.23 nM
CO/N=C(\C#N)[C@H]1CN2CCC1CC2 CHEMBL134641 EC50 123.0 nM
CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 CHEMBL545077 Log Ki 125.89 nM
CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 CHEMBL1223805 pEC50 125.89 nM
Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4748004 pKi 125.89 nM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4596899 pKi 125.89 nM
O=C(C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)N(Cc1ccccc1C(F)(F)F)CC1CCC1 CHEMBL3329766 pEC50 128.82 nM
O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4435641 Ki 130.0 nM
Cc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F CHEMBL4541518 Ki 130.0 nM
C[C@@H]1C[C@H](C(=O)Nc2ccc3scnc3c2)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 CHEMBL5220906 IC50 134.0 nM
CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 CHEMBL4641726 pKi 134.9 nM
CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 CHEMBL122354 IC50 138.9 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccncc2)C1 CHEMBL2312383 Ki 140.0 nM
COc1ccc(F)cc1C1CCN([C@@H]2CCC3(C2)CN(C(=O)C2COC2)C3)CC1 CHEMBL5399732 EC50 140.0 nM
C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 CHEMBL557808 pKi 141.25 nM
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4451383 pKi 141.25 nM
CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 CHEMBL4641714 pKi 141.25 nM
O=C(Nc1ccc2snnc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CHEMBL5218709 IC50 143.0 nM
CC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CHEMBL5209198 pIC50 147.91 nM
O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 CHEMBL2112957 Ki 150.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc(OC)c2)C1 CHEMBL2312387 Ki 150.0 nM
CCC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 CHEMBL3329763 EC50 150.0 nM
O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4441786 Ki 150.0 nM
CN1CCCC(OC(=O)N(CCc2ccc(F)cc2)c2ccccc2)C1 CHEMBL4448667 Ki 150.0 nM
CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 CHEMBL3329756 pEC50 154.88 nM
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 CHEMBL728 Ki 158.0 nM
COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 CHEMBL136027 Log Ki 158.49 nM
CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 CHEMBL1223861 pEC50 158.49 nM
CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 CHEMBL1223862 pEC50 158.49 nM
COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 CHEMBL1223940 pEC50 158.49 nM
C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 CHEMBL4634066 pKi 158.49 nM
CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 CHEMBL4059733 pKi 158.49 nM
COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 CHEMBL466253 Ki 159.0 nM
CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 CHEMBL120599 IC50 159.2 nM
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4439675 pKi 162.18 nM
CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 CHEMBL1160977 IC50 162.5 nM
CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 CHEMBL4644612 pKi 165.96 nM
O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 CHEMBL5219539 IC50 168.0 nM
COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 CHEMBL242345 Log Ki 169.82 nM
CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 CHEMBL4756833 pKi 177.83 nM
C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 CHEMBL556390 pKi 181.97 nM
COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 CHEMBL130835 Ki 183.0 nM
CSc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 CHEMBL2312367 Ki 190.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccsc2)C1 CHEMBL2312384 Ki 190.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(F)cc2)C1 CHEMBL2312392 Ki 190.0 nM
CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 CHEMBL3329755 EC50 190.0 nM
COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1 CHEMBL4456775 Ki 190.0 nM
CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 CHEMBL124173 IC50 190.3 nM
CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 CHEMBL334245 IC50 194.2 nM
C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL554916 pKi 194.98 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4564922 pKi 199.53 nM
Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4642045 pKi 199.53 nM
O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 CHEMBL369062 Ki 200.0 nM
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4543584 pKi 208.93 nM
O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 CHEMBL2112956 Ki 210.0 nM
Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1 CHEMBL1172 Ki 210.0 nM
CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 CHEMBL330999 IC50 214.5 nM
CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 CHEMBL340780 IC50 222.1 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4443219 pKi 223.87 nM
CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4876453 pKi 223.87 nM
Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O CHEMBL1200406 Ki 227.0 nM
Cc1cn(C)c(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n1 CHEMBL5196183 IC50 227.0 nM
Cn1ccnc1C#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CHEMBL5174465 IC50 227.0 nM
CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 CHEMBL257643 Ki 228.0 nM
CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 CHEMBL493795 pKi 229.09 nM
C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 CHEMBL568775 pKi 229.09 nM
CN1CCN2c3ccccc3Cc3ccccc3C2C1 CHEMBL6437 Ki 230.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 CHEMBL2312376 Ki 230.0 nM
COc1ccc(CCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 CHEMBL4461216 Ki 230.0 nM
NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4636083 pKi 234.42 nM
CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 CHEMBL332320 IC50 235.6 nM
Cn1ccnc1S(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1F CHEMBL5204724 IC50 239.0 nM
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4567026 pKi 239.88 nM
O=C(OCCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4456047 Ki 240.0 nM
COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 CHEMBL4545030 Ki 240.0 nM
CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 CHEMBL305660 Ki 242.7 nM
O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL4126071 pKi 245.47 nM
COc1ccc([C@@]23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C CHEMBL3353290 IC50 246.0 nM
COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 CHEMBL219118 Log Ki 251.19 nM
COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 CHEMBL216928 Log Ki 251.19 nM
COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 CHEMBL373888 Log Ki 251.19 nM
CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 CHEMBL324712 IC50 254.9 nM
CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 CHEMBL540316 IC50 255.8 nM
O=C(OCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4571841 Ki 260.0 nM
O=C(OCCCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 CHEMBL4443613 Ki 260.0 nM
COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F CHEMBL4455481 Ki 260.0 nM
CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 CHEMBL332181 IC50 264.7 nM
O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 CHEMBL5218629 IC50 266.0 nM
CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1 CHEMBL534 Ki 269.0 nM
O=C(Nc1ccc2scnc2c1)C12CC1CN(S(=O)(=O)c1ccc3c(c1)CCO3)C2 CHEMBL5289488 IC50 270.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 CHEMBL543177 IC50 272.8 nM
CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 CHEMBL4789147 pKi 275.42 nM
Cc1cccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)c1 CHEMBL2312369 Ki 280.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)OCO3)C1 CHEMBL2312377 Ki 280.0 nM
C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 CHEMBL4634575 pKi 288.4 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2C)C1 CHEMBL2312391 Ki 290.0 nM
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncsc3c2)C1 CHEMBL5274958 IC50 290.0 nM
Clc1cccc(COc2cncc(N3CCNCC3)n2)c1 CHEMBL4743049 Ki 293.13 nM
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4568151 pKi 295.12 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4582879 pKi 295.12 nM
c1ccc(Cc2ncc3c(n2)CCNCC3)cc1 CHEMBL1770373 IC50 300.0 nM
O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 CHEMBL3105228 IC50 300.0 nM
CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 CHEMBL170088 Log Ki 302.0 nM
Cc1nn(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3scnc3c2)CC1 CHEMBL5218950 IC50 304.0 nM
Cc1nn(C)c(C)c1-c1cccc2c1CC[C@H](N(C)C)C2 CHEMBL2164327 Ki 308.28 nM
COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 CHEMBL2111540 Ki 308.6 nM
Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3scnc3c2)[C@@H](F)C1 CHEMBL5218639 IC50 309.0 nM
CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 CHEMBL170221 Log Ki 309.03 nM
COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC CHEMBL27673 Ki 313.0 nM
CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 CHEMBL1223939 pEC50 316.23 nM
CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4440484 pKi 316.23 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4596065 pKi 316.23 nM
CCC(Sc1nccn1C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 CHEMBL5199408 pIC50 323.59 nM
CN1C2CCCC1CC(Nc1ccccc1Br)C2 CHEMBL4519018 IC50 325.0 nM
CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 CHEMBL120972 IC50 328.6 nM
CN(C)CCCN1c2ccccc2CCc2ccccc21 CHEMBL11 AC50 330.4 nM
CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 CHEMBL330892 IC50 330.9 nM
C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 CHEMBL2031737 Ki 336.0 nM
CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 CHEMBL523518 pKi 338.84 nM
O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 CHEMBL3354077 pKi 338.84 nM
CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 CHEMBL340561 IC50 341.9 nM
Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)cc3)c(C)c2)no1 CHEMBL281350 Ki 344.0 nM
CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1 CHEMBL3329754 pEC50 346.74 nM
O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 CHEMBL3354076 pKi 346.74 nM
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 CHEMBL5270574 IC50 350.0 nM
O=C(Nc1ccc2scnc2c1)[C@@H]1CCN(S(=O)(=O)c2ccc3ncccc3c2)C1 CHEMBL5267268 IC50 350.0 nM
C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2c(c1)CCO2 CHEMBL5188042 IC50 351.0 nM
C[N+](C)(C)CCOC(N)=O CHEMBL14 EC50 360.0 nM
C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL4127373 pKi 363.08 nM
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4565234 pKi 363.08 nM
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 CHEMBL809 Ki 364.5 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Br)cc2)C1 CHEMBL2312373 Ki 370.0 nM
CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 CHEMBL423831 Log Ki 371.54 nM
CCN(CC)CCCC(C)Nc1cnc(C(=O)Nc2cc(F)cc3cccnc23)cn1 CHEMBL5431371 Ki 373.0 nM
CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 CHEMBL116601 IC50 374.0 nM
COc1ccc(CCC(=O)OCC2(c3ccccc3)CCN(C)CC2)cc1 CHEMBL3629534 Ki 380.0 nM
COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC CHEMBL4516350 Ki 380.0 nM
CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 CHEMBL524061 pKi 380.19 nM
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 CHEMBL64894 Ki 384.0 nM
Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4646116 pKi 389.05 nM
Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4650998 pKi 389.05 nM
COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 CHEMBL553058 Log Ki 398.11 nM
COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 CHEMBL216927 Log Ki 398.11 nM
CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 CHEMBL1223806 pEC50 398.11 nM
CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 CHEMBL1223863 pEC50 398.11 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4597498 pKi 398.11 nM
O=C(N[C@H]1C[C@H](O)C1)c1ccc(C#Cc2cccc(F)c2)cn1 CHEMBL2431187 EC50 400.0 nM
CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 CHEMBL118241 IC50 400.6 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 CHEMBL120581 IC50 407.3 nM
O=C1C(=O)N(CCOc2ccccc2)c2ccc(OC(F)(F)F)cc21 CHEMBL2381694 pEC50 407.38 nM
CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 CHEMBL4636899 pKi 407.38 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1 CHEMBL2312372 Ki 410.0 nM
C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)CC[C@@H]1C(=O)Nc1ccc2scnc2c1 CHEMBL5220200 IC50 419.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 CHEMBL1180343 Ki 420.0 nM
C#CCO[C@H]1CN2CCC1CC2 CHEMBL2111051 EC50 422.0 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4451030 pKi 426.58 nM
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4454134 pKi 426.58 nM
C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 CHEMBL555146 Ki 437.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 CHEMBL2312374 Ki 440.0 nM
O=C(Nc1ccc2scnc2c1)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 CHEMBL5275437 IC50 440.0 nM
O=C1C(=O)N(CCOc2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc21 CHEMBL2381696 pEC50 446.68 nM
CC(=O)c1cccc(OCc2cc(C(=O)N(C)[C@@H](C)c3ccccn3)no2)c1 CHEMBL3185781 IC50 450.0 nM
CN1CCN(C(c2ccccc2)c2ccccc2)CC1 CHEMBL648 Ki 455.0 nM
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4548432 pKi 457.09 nM
Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 CHEMBL360648 Ki 467.2 nM
CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 CHEMBL569212 pKi 467.74 nM
C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 CHEMBL4127428 pKi 467.74 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 CHEMBL2312389 Ki 470.0 nM
COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 CHEMBL4442996 Ki 470.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 CHEMBL331516 IC50 472.2 nM
CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 CHEMBL106219 Log Ki 478.63 nM
O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 CHEMBL3105213 pIC50 478.63 nM
CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 CHEMBL3329751 pEC50 478.63 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 CHEMBL543890 IC50 479.4 nM
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 CHEMBL277642 Log Ki 489.78 nM
S=C(NCCCc1c[nH]cn1)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 CHEMBL103769 Ki 490.8 nM
CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 CHEMBL121299 IC50 499.7 nM
C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 CHEMBL104332 Log Ki 501.19 nM
C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 CHEMBL1083925 pIC50 501.19 nM
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4461081 pKi 501.19 nM
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 CHEMBL296419 Ki 505.0 nM
CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 CHEMBL333065 IC50 508.2 nM
O=C1CCON1CC#CCN1CCCC1 CHEMBL275104 Ki 510.0 nM
COc1ccc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)cc1C CHEMBL3353277 IC50 510.0 nM
O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 CHEMBL4059829 IC50 510.0 nM
Cc1c(P(=S)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C/C=C/c1ccccc1 CHEMBL1474387 Ki 510.27 nM
CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 CHEMBL4520788 Ki 523.93 nM
Cc1cccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)c1 CHEMBL2381698 pEC50 524.81 nM
CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4862996 pKi 524.81 nM
Cc1nnc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)s1 CHEMBL5207808 pIC50 524.81 nM
CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 CHEMBL279453 Log Ki 537.03 nM
CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 CHEMBL121476 IC50 537.3 nM
O=C1CCON1CC#CCN1CCCCC1 CHEMBL398043 Ki 544.0 nM
C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1 CHEMBL43064 Ki 545.0 nM
Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3ncsc3c2)CC1 CHEMBL5179490 pIC50 549.54 nM
COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1OC CHEMBL4570052 Ki 550.0 nM
CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 CHEMBL121552 IC50 558.9 nM
CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O CHEMBL69452 Ki 560.0 nM
OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 CHEMBL445102 Ki 579.3 nM
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 CHEMBL402207 Log Ki 588.84 nM
COc1ccc(OCCN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)cc1 CHEMBL2381697 pEC50 588.84 nM
Cc1nc2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCO5)CC3)ccc2s1 CHEMBL5219008 IC50 594.0 nM
C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 CHEMBL2432039 Ki 595.0 nM
COC(=O)C1=CCCN(C)C1 CHEMBL7303 EC50 600.0 nM
Cn1cc(-c2ccc(CN3C(=O)C(=O)c4ccccc43)c(F)c2)cn1 CHEMBL1083203 EC50 600.0 nM
CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4854886 pKi 602.56 nM
CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 CHEMBL120329 IC50 602.9 nM
O=C(c1cc(F)c(F)c(F)c1)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1 CHEMBL3361320 IC50 610.0 nM
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2 CHEMBL1113 Ki 615.0 nM
C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 CHEMBL4639004 pKi 616.6 nM
CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4852868 pKi 616.6 nM
CN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc3c(c2)CCO3)C1 CHEMBL2312366 Ki 630.0 nM
CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 CHEMBL538793 Log Ki 630.96 nM
COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 CHEMBL218755 Log Ki 630.96 nM
Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 CHEMBL244946 pIC50 630.96 nM
c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 CHEMBL4129723 pKi 630.96 nM
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C CHEMBL550 pEC50 630.96 nM
CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1 CHEMBL3039520 Ki 632.05 nM
CCN(Cc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 CHEMBL3329750 EC50 640.0 nM
COc1ccc(CCCOC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1 CHEMBL4435123 Ki 640.0 nM
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2 CHEMBL4542697 pIC50 660.69 nM
Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 CHEMBL2048820 Ki 662.06 nM
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1 CHEMBL831 AC50 670.8 nM
CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 CHEMBL354678 Log Ki 676.08 nM
N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4850130 pKi 676.08 nM
O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 CHEMBL4083681 IC50 695.0 nM
COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1F CHEMBL3353278 IC50 700.0 nM
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 CHEMBL254586 Log Ki 707.95 nM
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4544820 pKi 707.95 nM
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1 CHEMBL405355 Ki 717.63 nM
O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(CSc2nccs2)CC1 CHEMBL5188831 IC50 718.0 nM
CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 CHEMBL167223 Log Ki 724.44 nM
CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)[C@H](C)c1ccccc1 CHEMBL3329739 pEC50 724.44 nM
O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 CHEMBL4096143 IC50 732.0 nM
CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 CHEMBL2312352 Ki 740.0 nM
COc1ccc(CCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1C CHEMBL2312371 Ki 740.0 nM
CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3[nH]ncc3c2)CC1)[C@H](C)c1ccccc1 CHEMBL3329741 EC50 740.0 nM
Cc1nc(SCC2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)n(C)c1C CHEMBL5198797 pIC50 741.31 nM
CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 CHEMBL1201353 Ki 749.0 nM
CCN(Cc1ccccc1OC)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 CHEMBL3329749 EC50 750.0 nM
Cn1ccnc1SCC1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 CHEMBL5203148 IC50 755.0 nM
C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 CHEMBL1493369 Log Ki 758.58 nM
CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1)[C@H](C)c1ccccc1 CHEMBL3329740 pEC50 758.58 nM
O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 CHEMBL4093527 pKi 758.58 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccn2)C1 CHEMBL2312382 Ki 760.0 nM
CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 CHEMBL354523 Log Ki 776.25 nM
OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 CHEMBL403773 Log Ki 776.25 nM
C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1 CHEMBL75880 Ki 785.4 nM
CC(=O)OCC[N+](C)(C)C CHEMBL1184 EC50 790.0 nM
CC(C)Oc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 CHEMBL3361319 IC50 790.0 nM
CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 CHEMBL22108 Log Ki 794.33 nM
Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl CHEMBL1083723 pIC50 794.33 nM
Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 CHEMBL1223753 pEC50 794.33 nM
CN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3 CHEMBL3217984 pKi 794.33 nM
Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 CHEMBL30008 Ki 795.0 nM
C1CC2CCC1N2CC12C3C4C5C3C1C5C42 CHEMBL2030626 Ki 802.0 nM
Cn1ccnc1SC1C[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C[C@@H]2C1 CHEMBL5170431 pIC50 812.83 nM
CCN1CCN(c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2Cl)CC1 CHEMBL1090094 IC50 830.0 nM
CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 CHEMBL256923 Log Ki 831.76 nM
CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 CHEMBL43383 pKi 831.76 nM
COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@H](C)CCC[C@@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1 CHEMBL2018875 Ki 840.81 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 CHEMBL333125 IC50 842.0 nM
CCOc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1 CHEMBL3361318 IC50 850.0 nM
O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 CHEMBL3354075 pKi 851.14 nM
OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1 CHEMBL936 Ki 855.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 CHEMBL123099 IC50 865.9 nM
COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 CHEMBL262455 ED50 868.0 nM
CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 CHEMBL3329747 EC50 870.0 nM
CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 CHEMBL3329748 EC50 870.0 nM
COc1ccc(CCOC(=O)C2(c3ccccc3)CCN(C)CC2)cc1 CHEMBL3629530 Ki 870.0 nM
C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 CHEMBL569089 pKi 870.96 nM
CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 CHEMBL4643290 pKi 870.96 nM
CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 CHEMBL4856659 pKi 870.96 nM
COc1cc(C23c4ccccc4C(=O)N2CCN3C(=O)c2cc(F)c(F)c(F)c2)ccc1C CHEMBL3353280 IC50 900.0 nM
CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 CHEMBL168707 Log Ki 912.01 nM
COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 CHEMBL2205836 Ki 924.0 nM
CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3occc3c2)CC1)[C@H](C)c1ccccc1 CHEMBL3329737 EC50 930.0 nM
COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 CHEMBL2205823 Ki 931.0 nM
C#CCOC(=O)C1=CCCN(C)C1 CHEMBL128365 Log Ki 933.25 nM
O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 CHEMBL214898 Ki 940.0 nM
Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 CHEMBL522460 Ki 940.0 nM
CNCc1ccccc1-c1csc([C@@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 CHEMBL4535474 pKi 944.06 nM
C#CCOc1noc2c1CNCCC2 CHEMBL69306 EC50 950.0 nM
O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 CHEMBL378859 Ki 950.0 nM
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 CHEMBL762 Ki 957.0 nM
O=C(Nc1ccc2scnc2c1)C1CCN(S(=O)(=O)c2ccc3ncccc3c2)CC1 CHEMBL5219139 IC50 959.0 nM
O=C1COc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 CHEMBL346389 Ki 964.0 nM
CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H](C)c1ccccc1 CHEMBL3329736 EC50 970.0 nM
OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O CHEMBL1263 Ki 971.3 nM
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 CHEMBL1258223 Ki 972.0 nM
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1 CHEMBL41 Ki 976.0 nM
CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 CHEMBL1180284 IC50 977.0 nM
O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 CHEMBL21716 Log Ki 977.24 nM
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 CHEMBL4450522 pKi 977.24 nM
CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 CHEMBL120109 IC50 977.3 nM
CCO/C(O)=C1\CN2CCCC(C2)C1=O CHEMBL306462 Ki 980.0 nM