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P06276 | CHLE_HUMAN | Cholinesterase (BCHE)

3D structures mapped by conservation among orthologs

[ Domain: "alpha/beta-Hydrolases" // COesterase ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4451843 OBDepict O N H N N H N IC50 = 0.0017 nM 488.64 O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)c1c2ccccc2nc2ccccc12 Homo sapiens CHEMBL4326149 single protein format
CHEMBL4080419 OBDepict CH 3 N H 3 C N O N ClH Ki = 0.0111 nM 492.11 CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1.Cl Homo sapiens CHEMBL4027453 single protein format
CHEMBL1814730 OBDepict F HN O N H N ClH IC50 = 0.0212 nM 413.92 Cl.O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1 Homo sapiens CHEMBL1816233 single protein format
CHEMBL224336 OBDepict H 3 C N HN NH O N N H IC50 = 0.03 nM 497.69 CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL914527 single protein format
CHEMBL1814731 OBDepict F NH O NH N ClH IC50 = 0.0354 nM 427.95 Cl.O=C(NCCCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1 Homo sapiens CHEMBL1816233 single protein format
CHEMBL2019034 OBDepict CH 3 O O O NH O N H N ClH IC50 = 0.038 nM 592.18 COc1ccc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2c1.Cl Homo sapiens CHEMBL2020733 single protein format
CHEMBL1814729 OBDepict F NH O NH N ClH IC50 = 0.0449 nM 399.9 Cl.O=C(NCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1 Homo sapiens CHEMBL1816233 single protein format
CHEMBL3099496 OBDepict _ O + N O N HN N H N Ki = 0.06 nM 551.74 O=[N+]([O-])c1cccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc12)CCCC3 Homo sapiens CHEMBL3102253 single protein format
CHEMBL4444855 OBDepict O N N O N IC50 = 0.07 nM 413.52 O=C(c1cccc2ccccc12)n1nc(OCCCN2CCCCC2)c2ccccc21 Homo sapiens CHEMBL4400975 single protein format
CHEMBL2019032 OBDepict Cl N NH NH O O O ClH IC50 = 0.08 nM 596.6 Cl.O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2ccccc2o1 Homo sapiens CHEMBL2020733 single protein format
CHEMBL225198 OBDepict O N H N H N H N Cl IC50 = 0.1 nM 517.12 O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914527 single protein format
CHEMBL4089082 OBDepict O O N H N H CH 3 H HN CH 3 CH 3 Ki = 0.131 nM 351.45 CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN[C@@H]2N3)cc1 Homo sapiens CHEMBL4003329 single protein format
CHEMBL219316 OBDepict CH 3 O O CH 3 O H 3 C N H O N H O N H N IC50 = 0.139 nM 534.66 COc1cc(CCC(=O)NCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL219264 OBDepict CH 3 O O CH 3 O H 3 C N H O NH O HN N IC50 = 0.141 nM 548.68 COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL4476861 OBDepict O N N O N IC50 = 0.15 nM 399.49 O=C(c1cccc2ccccc12)n1nc(OCCCN2CCCC2)c2ccccc21 Homo sapiens CHEMBL4400975 single protein format
CHEMBL2019030 OBDepict O N H O O N H N ClH IC50 = 0.15 nM 562.15 Cl.O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2ccccc2o1 Homo sapiens CHEMBL2020733 single protein format
CHEMBL570764 OBDepict O O NH H O H O H H O O HO IC50 = 0.15 nM 399.4 O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3O)CO[C@H]12 Homo sapiens CHEMBL1040051 microsome format
CHEMBL32823 OBDepict N H N H N N Ki = 0.163 nM 492.71 c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL4027453 single protein format
CHEMBL4464964 OBDepict H 3 C HN O H N H O N N N N IC50 = 0.17 nM 460.58 CC(=O)N[C@@H](Cn1cc(-c2ccccc2)nn1)C(=O)NCC1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL4424917 single protein format
CHEMBL384886 OBDepict CH 3 O O CH 3 O H 3 C N H O NH O HN N IC50 = 0.226 nM 520.63 COc1cc(CCC(=O)NCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL3642040 OBDepict H 3 C N H O N H O N H O N H N IC50 = 0.25 nM 555.72 CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc12 Homo sapiens CHEMBL3708022 single protein format
CHEMBL4293015 OBDepict O N H N H 3 C N IC50 = 0.25 nM 389.54 Cn1cc(CC(=O)NCCC2CCN(Cc3ccccc3)CC2)c2ccccc21 Homo sapiens CHEMBL4255021 single protein format
CHEMBL3642049 OBDepict H 3 C N H O N H O N H O N H N IC50 = 0.25 nM 569.75 CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc12 Homo sapiens CHEMBL3708022 single protein format
CHEMBL4461027 OBDepict O N N O N IC50 = 0.26 nM 399.49 O=C(c1cccc2ccccc12)n1nc(OCCN2CCCCC2)c2ccccc21 Homo sapiens CHEMBL4400975 single protein format
CHEMBL3827288 OBDepict CH 3 N H O O N H 3 C O O O IC50 = 0.27 nM 534.7 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c4c(c(=O)oc3c2)CCCC4)c1 Homo sapiens CHEMBL3829834 single protein format
CHEMBL501587 OBDepict CH 3 N O S N H N N Ki = 0.27 nM 566.82 CC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCSc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002718 single protein format
CHEMBL3642052 OBDepict H 3 C N H O N H O N H O N H N IC50 = 0.28 nM 597.8 CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc12 Homo sapiens CHEMBL3708022 single protein format
CHEMBL3827610 OBDepict CH 3 N H O O N H 3 C O O O IC50 = 0.28 nM 562.75 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4c(c(=O)oc3c2)CCCC4)c1 Homo sapiens CHEMBL3829834 single protein format
CHEMBL216159 OBDepict CH 3 O O CH 3 O N H O H 3 C NH O HN N IC50 = 0.293 nM 548.68 COc1cc(C(=O)NCCCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL3642043 OBDepict H 3 C N H O N H O N H O N H N Cl IC50 = 0.38 nM 590.17 CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)cc12 Homo sapiens CHEMBL3708022 single protein format
CHEMBL490060 OBDepict H 3 C N NH NH N N Ki = 0.435 nM 535.78 CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002718 single protein format
CHEMBL3752969 OBDepict H 3 C O O NH N H N IC50 = 0.49 nM 457.62 COc1cccc2cc(CNCCCCCCNc3c4c(nc5ccccc35)CCCC4)oc12 Homo sapiens CHEMBL3755060 single protein format
CHEMBL4555120 OBDepict CH 3 O O H 3 C O N H N IC50 = 0.515 nM 448.61 COc1ccc(CCOCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1OC Homo sapiens CHEMBL4361992 single protein format
CHEMBL219569 OBDepict CH 3 O O CH 3 O N H O H 3 C N H O N H N IC50 = 0.523 nM 534.66 COc1cc(C(=O)NCCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL3827044 OBDepict CH 3 N H O O N H 3 C O O N IC50 = 0.53 nM 545.72 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c(c2)Oc2ncccc2C3)c1 Homo sapiens CHEMBL3829834 single protein format
CHEMBL484306 OBDepict CH 3 O O CH 3 O N H N H N IC50 = 0.6 nM 515.7 COc1cc2c(cc1OC)C(=O)C(CNCCCCCCCNc1c3c(nc4ccccc14)CCCC3)C2 Homo sapiens CHEMBL960590 single protein format
CHEMBL4285818 OBDepict O N H N H Br N IC50 = 0.68 nM 454.41 O=C(Cc1c[nH]c2ccc(Br)cc12)NCCC1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL4255021 single protein format
CHEMBL128390 OBDepict CH 3 N H O O N H 3 C O O O N IC50 = 0.69 nM 531.65 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4cccnc4oc3c2)c1 Homo sapiens CHEMBL3829834 single protein format
CHEMBL433041 OBDepict CH 3 HN O O N CH 3 CH 3 H N H 3 C IC50 = 0.69 nM 359.51 CCCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C Homo sapiens CHEMBL654235 single protein format
CHEMBL451277 OBDepict CH 3 N O NH N H N N Ki = 0.725 nM 549.76 CC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002718 single protein format
CHEMBL175949 OBDepict CH 3 N O NH S N N Ki = 0.74 nM 566.82 CC(=O)N(CCCCSc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002718 single protein format
CHEMBL129108 OBDepict NH S N N IC50 = 0.77 nM 523.79 c1ccc2c(NCCCCCCCCSc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL826980 single protein format
CHEMBL482512 OBDepict NH NH S N N Ki = 0.779 nM 524.78 c1ccc2c(NCCCCNCCCSc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL1002718 single protein format
CHEMBL3828693 OBDepict CH 3 N H O O N H 3 C O O O IC50 = 0.79 nM 508.66 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3ccc(=O)oc3c2)c1 Homo sapiens CHEMBL3829834 single protein format
CHEMBL2019047 OBDepict HO OH O O HN O N H N ClH IC50 = 0.8 nM 594.15 Cl.O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2c(O)cc(O)cc2o1 Homo sapiens CHEMBL2020733 single protein format
CHEMBL489454 OBDepict CH 3 N NH N H N N Ki = 0.819 nM 521.75 CN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002718 single protein format
CHEMBL4456928 OBDepict N N H N H N IC50 = 0.86 nM 574.77 c1ccc2c(NCc3ccc(-c4ccc(CNc5c6c(nc7ccccc57)CCCC6)cc4)cc3)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL4342666 single protein format
CHEMBL4283651 OBDepict O N H N H N IC50 = 0.87 nM 375.52 O=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL4255021 single protein format
CHEMBL3642050 OBDepict CH 3 N H O N H O N H O N H N Cl IC50 = 0.88 nM 590.17 CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCCNc3c4c(nc5ccc(Cl)cc35)CCCC4)cc12 Homo sapiens CHEMBL3708022 single protein format
CHEMBL95 OBDepict NH 2 N IC50 = 0.9 nM 198.27 Nc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL654405 cell-free format
CHEMBL490264 OBDepict N H N H N N Ki = 0.924 nM 526.73 c1cc(CCNc2c3c(nc4ccccc24)CCCC3)cc(CCNc2c3c(nc4ccccc24)CCCC3)c1 Homo sapiens CHEMBL1002718 single protein format
CHEMBL434378 OBDepict CH 3 O O O CH 3 CH 3 HN O N H O N H N IC50 = 0.969 nM 520.63 COc1cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL224158 OBDepict O HN N H HN N IC50 = 1.0 nM 454.62 O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL914527 single protein format
CHEMBL54470 OBDepict O O N H N H CH 3 HN CH 3 CH 3 IC50 = 1.0 nM 351.45 CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCNC2N3)cc1 Homo sapiens CHEMBL654884 cell-free format
CHEMBL370807 OBDepict O N H N N H H OH N IC50 = 1.0 nM 470.62 O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccc(O)cc12 Homo sapiens CHEMBL864029 single protein format
CHEMBL4089082 OBDepict O O N H N H CH 3 H HN CH 3 CH 3 IC50 = 1.0 nM 351.45 CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN[C@@H]2N3)cc1 Homo sapiens CHEMBL4003328 single protein format
CHEMBL4089230 OBDepict CH 3 N H 3 C N O N IC50 = 1.03 nM 455.65 CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL4027450 single protein format
CHEMBL4294570 OBDepict CH 3 N H 3 C N O N N OH Ki = 1.09 nM 472.63 CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2cccc(O)c2n1 Homo sapiens CHEMBL4273359 single protein format
CHEMBL4277879 OBDepict O N H H 3 C N H N IC50 = 1.09 nM 389.54 Cc1[nH]c2ccccc2c1CC(=O)NCCC1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL4255021 single protein format
CHEMBL3828054 OBDepict O O N H N N N O O O IC50 = 1.17 nM 538.6 O=C(NCCCCCc1ccccc1)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1 Homo sapiens CHEMBL3829833 single protein format
CHEMBL499224 OBDepict HO N HN N H N N Ki = 1.187 nM 551.78 OCCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002718 single protein format
CHEMBL3827064 OBDepict CH 3 N O O NH O O O IC50 = 1.19 nM 578.71 CN(CCCOc1ccc2c(c1)oc(=O)c1ccccc12)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Homo sapiens CHEMBL3829833 single protein format
CHEMBL583687 OBDepict O O N H H O H O H H O O CH 3 IC50 = 1.2 nM 397.43 Cc1ccccc1C(=O)O[C@@H]1CO[C@@H]2[C@@H](OC(=O)NCc3ccccc3)CO[C@H]12 Homo sapiens CHEMBL1040051 microsome format
CHEMBL3828293 OBDepict CH 3 N O O NH O O O IC50 = 1.23 nM 556.7 CN(CCCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Homo sapiens CHEMBL3829833 single protein format
CHEMBL3753405 OBDepict H 3 C O O NH N H N IC50 = 1.23 nM 485.67 COc1cccc2cc(CNCCCCCCCNc3c4c(nc5ccccc35)CCCCC4)oc12 Homo sapiens CHEMBL3755060 single protein format
CHEMBL187870 OBDepict CH 3 NH O O O N CH 3 IC50 = 1.26 nM 346.47 CCCCCCCNC(=O)Oc1cccc2c1OCC1CCN(C)C21 Homo sapiens CHEMBL828553 single protein format
CHEMBL3752356 OBDepict H 3 C O O NH N H N IC50 = 1.3 nM 443.59 COc1cccc2cc(CNCCCCCCNc3c4c(nc5ccccc35)CCC4)oc12 Homo sapiens CHEMBL3755060 single protein format
CHEMBL525917 OBDepict H N H 2 N H NH O N H N Ki = 1.33 nM 427.55 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL997711 single protein format
CHEMBL440526 OBDepict CH 3 N H O O N H 3 C O O O IC50 = 1.36 nM 480.61 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1 Homo sapiens CHEMBL3829834 single protein format
CHEMBL374981 OBDepict CH 3 O O O CH 3 H 3 C N H O N H O N H IC50 = 1.38 nM 561.72 COc1cc(C(=O)NCCCCCCCCC(=O)NNc2c3c(cc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL3827734 OBDepict CH 3 N O O NH O O O IC50 = 1.44 nM 582.74 CN(CCCOc1ccc2c3c(c(=O)oc2c1)CCCC3)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Homo sapiens CHEMBL3829833 single protein format
CHEMBL425739 OBDepict O NH S HN S N IC50 = 1.48 nM 471.74 O=C(CCCCC1CCSS1)NCCCCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL833546 single protein format
CHEMBL2019043 OBDepict OH O O HN O N H N ClH IC50 = 1.5 nM 578.15 Cl.O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2cc(O)ccc2o1 Homo sapiens CHEMBL2020733 single protein format
CHEMBL2047528 OBDepict CH 3 N O O NH O O O IC50 = 1.57 nM 528.65 CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Homo sapiens CHEMBL2049775 single protein format
CHEMBL129108 OBDepict NH S N N Ki = 1.65 nM 523.79 c1ccc2c(NCCCCCCCCSc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL997711 single protein format
CHEMBL219550 OBDepict CH 3 O O O CH 3 H 3 C N H O N H O N H N IC50 = 1.68 nM 506.6 COc1cc(C(=O)NCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL225326 OBDepict Cl N HN N H O N H Br IC50 = 1.7 nM 581.99 O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914527 single protein format
CHEMBL219262 OBDepict CH 3 O O CH 3 O N H O CH 3 N H N IC50 = 1.7 nM 407.47 COc1cc(C(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC Homo sapiens CHEMBL912242 cell-free format
CHEMBL224998 OBDepict Cl N N H NH O N H IC50 = 1.7 nM 475.04 O=C(NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12 Homo sapiens CHEMBL914527 single protein format
CHEMBL4283585 OBDepict CH 3 N H 3 C N O OH N N Ki = 1.71 nM 472.63 CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2cccnc2c1O Homo sapiens CHEMBL4273359 single protein format
CHEMBL2047530 OBDepict CH 3 N O O HN O O O N IC50 = 1.71 nM 579.7 CN(CCCOc1ccc2c(=O)c3cccnc3oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 Homo sapiens CHEMBL2049775 single protein format
CHEMBL3960040 OBDepict F N O N H IC50 = 1.8 nM 322.38 O=C1NCCCc2c1c1ccccc1n2CCc1cccc(F)c1 Homo sapiens CHEMBL3877902 single protein format
CHEMBL502244 OBDepict O HN O H CH 3 H 3 C CH 3 N H O N N H H N Ki = 1.87 nM 527.67 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL997711 single protein format
CHEMBL521935 OBDepict N N H N H N N Ki = 1.872 nM 527.72 c1cc(CCNc2c3c(nc4ccccc24)CCCC3)nc(CCNc2c3c(nc4ccccc24)CCCC3)c1 Homo sapiens CHEMBL1002718 single protein format
CHEMBL3972214 OBDepict CH N N N N HO IC50 = 2.0 nM 438.58 C#CCN(Cc1ccc2cccc(O)c2n1)C(C#N)CC1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL3862298 cell-based format
CHEMBL74089 OBDepict H 3 C NH O O N H 3 C H 3 C NH IC50 = 2.0 nM 261.32 CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCNC1N2C Homo sapiens CHEMBL651303 cell-free format
CHEMBL4787418 OBDepict CH 3 N H H NH O N H N IC50 = 2.0 nM 460.67 CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL4710646 single protein format
CHEMBL367795 OBDepict CH 3 HN O O N CH 3 CH 3 O IC50 = 2.0 nM 276.34 CCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCOC1N2C Homo sapiens CHEMBL829512 cell-free format
CHEMBL381926 OBDepict CH 3 HN O O N CH 3 CH 3 H O IC50 = 2.0 nM 276.34 CCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1N2C Homo sapiens CHEMBL861175 cell-free format
CHEMBL3642042 OBDepict H 3 C N H O N H O N H O N H N IC50 = 2.04 nM 541.7 CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc12 Homo sapiens CHEMBL3708022 single protein format
CHEMBL3642048 OBDepict CH 3 N H O N H O N H O N H N IC50 = 2.07 nM 527.67 CC(=O)NCCc1c[nH]c2ccc(OC(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)cc12 Homo sapiens CHEMBL3708022 single protein format
CHEMBL3752467 OBDepict HN N H O N IC50 = 2.18 nM 441.62 c1ccc2oc(CNCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc2c1 Homo sapiens CHEMBL3755060 single protein format
CHEMBL4294640 OBDepict H 3 C N N N H N H N IC50 = 2.29 nM 555.77 Cn1c2nc3ccccc3c-2c(NCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)c2ccccc21 Homo sapiens CHEMBL4262658 single protein format
CHEMBL4207101 OBDepict O N H NH N O N F F IC50 = 2.35 nM 384.39 O=C(CNCc1cc(F)cc(F)c1)Nc1ccc2nc3n(c(=O)c2c1)CCC3 Homo sapiens CHEMBL4193993 single protein format
CHEMBL309667 OBDepict CH 3 HN O O N H CH 3 HN IC50 = 2.4 nM 247.3 CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCNC1N2 Homo sapiens CHEMBL651303 cell-free format
CHEMBL3751941 OBDepict NH N H O N IC50 = 2.48 nM 413.57 c1ccc2oc(CNCCCCCCNc3c4c(nc5ccccc35)CCC4)cc2c1 Homo sapiens CHEMBL3755060 single protein format
CHEMBL4584023 OBDepict O N N O O N IC50 = 2.5 nM 469.59 O=C(c1ccccc1OCc1ccccc1)n1nc(OCCCN2CCCCC2)c2ccccc21 Homo sapiens CHEMBL4400975 single protein format
CHEMBL3752543 OBDepict HN N H O N IC50 = 2.54 nM 427.59 c1ccc2oc(CNCCCCCCCNc3c4c(nc5ccccc35)CCC4)cc2c1 Homo sapiens CHEMBL3755060 single protein format
CHEMBL307908 OBDepict N H N H N N IC50 = 2.6 nM 520.77 c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCCC4)c3c(nc2c1)CCCCC3 Homo sapiens CHEMBL654400 cell-free format
CHEMBL3338394 OBDepict CH 3 O N O H N Ki = 2.71 nM 442.6 COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL3375249 single protein format