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P22303 | ACES_HUMAN | Acetylcholinesterase (ACHE)

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
CHEMBL225021 OBDepict O NH N HN H N Cl Ki = 0.0017 nM 503.09 O=C(CCCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL3585776 OBDepict CH 3 O N H H 3 C S NH O O O O Ki = 0.0045 nM 364.42 COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585782 OBDepict CH 3 O O CH 3 N H H 3 C S O O NH 2 Ki = 0.0049 nM 260.31 COc1ccc(C(C)NS(N)(=O)=O)cc1OC Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585777 OBDepict CH 3 O O CH 3 N H H 3 C S HN O O O O Ki = 0.0051 nM 394.45 COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1OC Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585783 OBDepict CH 3 O N H H 3 C O S CH 3 O O NH 2 Ki = 0.0056 nM 260.31 COc1ccc(OC)c(C(C)NS(N)(=O)=O)c1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585775 OBDepict CH 3 O HN CH 3 S N H O O O O Ki = 0.0056 nM 364.42 COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585781 OBDepict CH 3 O N H H 3 C S O O NH 2 Ki = 0.0063 nM 230.29 COc1ccc(C(C)NS(N)(=O)=O)cc1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL4451843 OBDepict O N H N N H N IC50 = 0.0076 nM 488.64 O=C(NCCCCCNc1c2c(nc3ccccc13)CCCC2)c1c2ccccc2nc2ccccc12 Homo sapiens CHEMBL4326148 single protein format
CHEMBL199585 OBDepict O N H N H N H N Cl Cl IC50 = 0.008 nM 537.54 O=C(CCCCCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2)NCCc1c[nH]c2ccccc12 Homo sapiens CHEMBL864026 single protein format
CHEMBL4589980 OBDepict O N H N H N H N Cl IC50 = 0.008 nM 503.09 O=C(CCCCCCNc1c2c(nc3cccc(Cl)c13)CCCC2)NCCc1c[nH]c2ccccc12 Homo sapiens CHEMBL4391927 single protein format
CHEMBL3585784 OBDepict CH 3 O N H H 3 C O S CH 3 O O NH 2 Ki = 0.0081 nM 260.31 COc1cccc(OC)c1C(C)NS(N)(=O)=O Homo sapiens CHEMBL3588578 single protein format
CHEMBL225198 OBDepict O N H N H N H N Cl Ki = 0.009 nM 517.12 O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL3585779 OBDepict H 3 C O O N H CH 3 CH 3 S HN O O O O Ki = 0.0105 nM 394.45 COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL4205425 OBDepict CH 3 O N O O N H O Cl IC50 = 0.01095 nM 434.88 COc1ccccc1C(=O)N1Cc2cc(NC(=O)c3cccc(Cl)c3)ccc2CC1=O Homo sapiens CHEMBL4192783 single protein format
CHEMBL489454 OBDepict CH 3 N NH N H N N Ki = 0.0118 nM 521.75 CN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002717 single protein format
CHEMBL4205954 OBDepict Cl N H O N O O IC50 = 0.01323 nM 404.85 O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)C(=O)C2)c1cccc(Cl)c1 Homo sapiens CHEMBL4192783 single protein format
CHEMBL4209803 OBDepict CH 3 HN O N O O CH 3 IC50 = 0.01352 nM 398.46 Cc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccc(C)c2)C(=O)C3)c1 Homo sapiens CHEMBL4192783 single protein format
CHEMBL225567 OBDepict O N H N H N H N Cl Ki = 0.014 nM 503.09 O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL4217663 OBDepict Cl N H O N O O Cl IC50 = 0.01415 nM 439.3 O=C(Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)C(=O)C2)c1cccc(Cl)c1 Homo sapiens CHEMBL4192783 single protein format
CHEMBL4210316 OBDepict CH 3 N O O N H O Cl IC50 = 0.01441 nM 418.88 Cc1cccc(C(=O)N2Cc3cc(NC(=O)c4cccc(Cl)c4)ccc3CC2=O)c1 Homo sapiens CHEMBL4192783 single protein format
CHEMBL223443 OBDepict Cl N HN N H O N H Ki = 0.015 nM 503.09 O=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL4214430 OBDepict H 3 C O N H O N O O Cl IC50 = 0.01672 nM 434.88 COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)C(=O)C2 Homo sapiens CHEMBL4192783 single protein format
CHEMBL4213253 OBDepict CH 3 O N O O N H O IC50 = 0.01893 nM 400.43 COc1ccccc1C(=O)N1Cc2cc(NC(=O)c3ccccc3)ccc2CC1=O Homo sapiens CHEMBL4192783 single protein format
CHEMBL225326 OBDepict Cl N HN N H O N H Br Ki = 0.02 nM 581.99 O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL1083983 OBDepict O N H N H N H N IC50 = 0.02 nM 468.65 O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1119333 single protein format
CHEMBL225198 OBDepict O N H N H N H N Cl IC50 = 0.02 nM 517.12 O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL4214707 OBDepict CH 3 HN O N O O Cl IC50 = 0.02094 nM 418.88 Cc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccc(Cl)c2)C(=O)C3)c1 Homo sapiens CHEMBL4192783 single protein format
CHEMBL4210041 OBDepict CH 3 O N H O N O O O H 3 C IC50 = 0.02158 nM 430.46 COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1OC)C(=O)C2 Homo sapiens CHEMBL4192783 single protein format
CHEMBL3585778 OBDepict CH 3 O O HN CH 3 CH 3 S N H O O O O Ki = 0.0229 nM 394.45 COc1ccc(OC)c(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL4205144 OBDepict H 3 C O N H O N O O CH 3 IC50 = 0.02592 nM 414.46 COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1cccc(C)c1)C(=O)C2 Homo sapiens CHEMBL4192783 single protein format
CHEMBL208599 OBDepict CH 3 H N NH 2 Cl Ki = 0.026 nM 298.82 CCC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3[C@@H](C1)C2 Homo sapiens CHEMBL641012 single protein format
CHEMBL4218191 OBDepict CH 3 N O O N H O IC50 = 0.02621 nM 384.44 Cc1cccc(C(=O)N2Cc3cc(NC(=O)c4ccccc4)ccc3CC2=O)c1 Homo sapiens CHEMBL4192783 single protein format
CHEMBL3585777 OBDepict CH 3 O O CH 3 N H H 3 C S HN O O O O IC50 = 0.02685 nM 394.45 COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1OC Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585775 OBDepict CH 3 O HN CH 3 S N H O O O O IC50 = 0.02685 nM 364.42 COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585778 OBDepict CH 3 O O HN CH 3 CH 3 S N H O O O O IC50 = 0.02685 nM 394.45 COc1ccc(OC)c(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)c1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585779 OBDepict H 3 C O O N H CH 3 CH 3 S HN O O O O IC50 = 0.02685 nM 394.45 COc1cccc(OC)c1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585780 OBDepict CH 3 O N H H 3 C S O O NH 2 IC50 = 0.02685 nM 230.29 COc1ccccc1C(C)NS(N)(=O)=O Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585781 OBDepict CH 3 O N H H 3 C S O O NH 2 IC50 = 0.02685 nM 230.29 COc1ccc(C(C)NS(N)(=O)=O)cc1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585782 OBDepict CH 3 O O CH 3 N H H 3 C S O O NH 2 IC50 = 0.02685 nM 260.31 COc1ccc(C(C)NS(N)(=O)=O)cc1OC Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585776 OBDepict CH 3 O N H H 3 C S NH O O O O IC50 = 0.02685 nM 364.42 COc1ccc(C(C)NS(=O)(=O)NC(=O)OCc2ccccc2)cc1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585783 OBDepict CH 3 O N H H 3 C O S CH 3 O O NH 2 IC50 = 0.02685 nM 260.31 COc1ccc(OC)c(C(C)NS(N)(=O)=O)c1 Homo sapiens CHEMBL3588578 single protein format
CHEMBL3585784 OBDepict CH 3 O N H H 3 C O S CH 3 O O NH 2 IC50 = 0.02685 nM 260.31 COc1cccc(OC)c1C(C)NS(N)(=O)=O Homo sapiens CHEMBL3588578 single protein format
CHEMBL4208866 OBDepict Cl N O O NH O IC50 = 0.02836 nM 404.85 O=C(Nc1ccc2c(c1)CN(C(=O)c1cccc(Cl)c1)C(=O)C2)c1ccccc1 Homo sapiens CHEMBL4192783 single protein format
CHEMBL4209518 OBDepict CH 3 O N H O N O O IC50 = 0.02938 nM 400.43 COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)C(=O)C2 Homo sapiens CHEMBL4192783 single protein format
CHEMBL536047 OBDepict CH 3 N NH 2 Cl ClH Ki = 0.033 nM 321.25 CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2.Cl Homo sapiens CHEMBL911226 single protein format
CHEMBL3585780 OBDepict CH 3 O N H H 3 C S O O NH 2 Ki = 0.0382 nM 230.29 COc1ccccc1C(C)NS(N)(=O)=O Homo sapiens CHEMBL3588578 single protein format
CHEMBL372202 OBDepict CH 3 O N H N H O N H N Cl Cl IC50 = 0.04 nM 567.56 COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c35)CCCC4)c2c1 Homo sapiens CHEMBL864026 single protein format
CHEMBL1083984 OBDepict O N H N H N H N IC50 = 0.06 nM 482.67 O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1119333 single protein format
CHEMBL307004 OBDepict Cl N N H N H N Cl IC50 = 0.07 nM 561.6 Clc1ccc2c(NCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL1119333 single protein format
CHEMBL225567 OBDepict O N H N H N H N Cl IC50 = 0.07 nM 503.09 O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL507174 OBDepict H 2 C N HN N H N N Ki = 0.0847 nM 547.79 C=CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002717 single protein format
CHEMBL381499 OBDepict O N H N H N H N Cl IC50 = 0.1 nM 503.09 O=C(CCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)NCCc1c[nH]c2ccccc12 Homo sapiens CHEMBL864026 single protein format
CHEMBL499224 OBDepict HO N HN N H N N Ki = 0.1191 nM 551.78 OCCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002717 single protein format
CHEMBL4751100 OBDepict H 3 C O OH O H 3 C N H N H N Cl IC50 = 0.12 nM 580.21 COc1cc2c(cc1O)CCC(C)(CCNCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2 Homo sapiens CHEMBL4727112 cell-based format
CHEMBL223443 OBDepict Cl N HN N H O N H IC50 = 0.12 nM 503.09 O=C(Cc1c[nH]c2ccccc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL225021 OBDepict O NH N HN H N Cl IC50 = 0.13 nM 503.09 O=C(CCCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL4751100 OBDepict H 3 C O OH O H 3 C N H N H N Cl Ki = 0.132 nM 580.21 COc1cc2c(cc1O)CCC(C)(CCNCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2 Homo sapiens CHEMBL4727120 cell-based format
CHEMBL445454 OBDepict N N H N N N H N Ki = 0.1359 nM 562.81 c1ccc2c(NCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL1002717 single protein format
CHEMBL490060 OBDepict H 3 C N NH NH N N Ki = 0.162 nM 535.78 CCN(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002717 single protein format
CHEMBL451277 OBDepict CH 3 N O NH N H N N Ki = 0.223 nM 549.76 CC(=O)N(CCCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002717 single protein format
CHEMBL3099497 OBDepict NH 2 N HN N H N Ki = 0.23 nM 521.75 Nc1cccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc12)CCCC3 Homo sapiens CHEMBL3102254 single protein format
CHEMBL225326 OBDepict Cl N HN N H O N H Br IC50 = 0.23 nM 581.99 O=C(Cc1c[nH]c2ccc(Br)cc12)NCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL914529 assay format
CHEMBL1912059 OBDepict O NH N H H S S N Cl IC50 = 0.23 nM 478.13 O=C(CCCC[C@@H]1CCSS1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL1912247 single protein format
CHEMBL1940738 OBDepict CH 3 O O O CH 3 O CH 3 O O HO N CH 3 H 3 C IC50 = 0.236 nM 443.5 COc1cc2oc(=O)c(OCCCCOc3cc(O)cc(N(C)C)c3)c(C)c2cc1OC Homo sapiens CHEMBL1942987 single protein format
CHEMBL194823 OBDepict O HN N H S S N Cl IC50 = 0.253 nM 478.13 O=C(CCCCC1CCSS1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL832842 single protein format
CHEMBL4785201 OBDepict H 3 C O OH O H 3 C N H N H N Cl IC50 = 0.27 nM 594.24 COc1cc2c(cc1O)CCC(C)(CCNCCCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2 Homo sapiens CHEMBL4727112 cell-based format
CHEMBL1187434 OBDepict CH 3 O O H 3 C O N NH N Cl IC50 = 0.27 nM 562.15 COc1cc2c(cc1OC)C(=O)C(CC1CCN(CCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2 Homo sapiens CHEMBL4133383 cell-based format
CHEMBL2019032 OBDepict Cl N NH NH O O O ClH IC50 = 0.3 nM 596.6 Cl.O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)c1cc(=O)c2ccccc2o1 Homo sapiens CHEMBL2020732 assay format
CHEMBL312310 OBDepict Cl N N H N H N Cl IC50 = 0.3 nM 575.63 Clc1ccc2c(NCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL1119333 single protein format
CHEMBL4471659 OBDepict O N H HN NH 2 F N Cl IC50 = 0.3 nM 547.12 NC12CC3CC(F)(CC(C1)c1cc(NC(=O)CCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)ccc13)C2 Homo sapiens CHEMBL4307302 cell-based format
CHEMBL340427 OBDepict CH 3 NH O O N H 3 C O O O IC50 = 0.3 nM 446.5 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 Homo sapiens CHEMBL644104 single protein format
CHEMBL338755 OBDepict CH 3 N HN NH N N IC50 = 0.3 nM 507.73 CN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL827818 single protein format
CHEMBL2064464 OBDepict CH 3 N N O N N H N Ki = 0.318 nM 477.7 CN(CCC(=O)N1CCN(CCNc2c3c(nc4ccccc24)CCCC3)CC1)C1CCCCC1 Homo sapiens CHEMBL2066010 single protein format
CHEMBL2236393 OBDepict CH 3 NH O N H 3 C O O O IC50 = 0.32 nM 488.63 CNCOc1cccc(CN(C)CCCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1 Homo sapiens CHEMBL3049408 single protein format
CHEMBL543655 OBDepict CH 3 NH O O N H 3 C O O O ClH IC50 = 0.32 nM 539.07 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1.Cl Homo sapiens CHEMBL644104 single protein format
CHEMBL329012 OBDepict O N H O N N HO O O OH IC50 = 0.33 nM 491.54 O=C(O)/C=CC(=O)O.O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Homo sapiens CHEMBL644837 assay format
CHEMBL359570 OBDepict O NH O N N IC50 = 0.33 nM 375.47 O=C1Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Homo sapiens CHEMBL832763 single protein format
CHEMBL4165327 OBDepict CH 3 O O H 3 C O Br + N _ Br IC50 = 0.36 nM 533.26 COc1cc2c(cc1OC)C(=O)C(Cc1cc[n+](Cc3ccccc3)cc1Br)C2.[Br-] Homo sapiens CHEMBL4146836 single protein format
CHEMBL4854913 OBDepict O N H N O N H N CH 3 Cl IC50 = 0.41 nM 523.12 CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCC(=O)N4CCNC(=O)C4)c3C(C1)C2 Homo sapiens CHEMBL4844259 single protein format
CHEMBL1994202 OBDepict CH 3 H H N NH 2 Cl ClH IC50 = 0.43 nM 321.25 CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@H](C1)C2.Cl Homo sapiens CHEMBL2015198 single protein format
CHEMBL4280612 OBDepict OH N N N H H N NH 2 Cl IC50 = 0.43 nM 423.95 Nc1c2c(nc3cc(Cl)ccc13)C[C@H]1C=C(CCCCn3cc(CO)nn3)C[C@H]2C1 Homo sapiens CHEMBL4262667 single protein format
CHEMBL1161905 OBDepict CH 3 H H N NH 2 Cl IC50 = 0.43 nM 284.79 CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@H](C1)C2 Homo sapiens CHEMBL3887855 single protein format
CHEMBL4796461 OBDepict H 3 C O OH O H 3 C N H N H N Cl IC50 = 0.44 nM 566.19 COc1cc2c(cc1O)CCC(C)(CCNCCCCCCCNc1c3c(nc4cc(Cl)ccc14)CCCC3)O2 Homo sapiens CHEMBL4727112 cell-based format
CHEMBL3785269 OBDepict CH 3 O HN S N O O H 3 C H 3 C Ki = 0.45 nM 284.38 COc1cccc2c1CCC(NS(=O)(=O)N(C)C)C2 Homo sapiens CHEMBL3790087 single protein format
CHEMBL370807 OBDepict O N H N N H H OH N IC50 = 0.45 nM 470.62 O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccc(O)cc12 Homo sapiens CHEMBL864026 single protein format
CHEMBL4752175 OBDepict CH 3 O O + N O F F F O _ Br Ki = 0.456 nM 560.37 COc1ccc2cc3[n+](cc2c1OCc1ccc(C(F)(F)F)cc1)CCc1cc2c(cc1-3)OCO2.[Br-] Homo sapiens CHEMBL4708699 single protein format
CHEMBL1912058 OBDepict O NH N H H S S N Cl IC50 = 0.471 nM 478.13 O=C(CCCC[C@H]1CCSS1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL1912247 single protein format
CHEMBL94546 OBDepict CH 3 S O O HO O N CH 3 O N N IC50 = 0.48 nM 485.61 CN1C(=O)Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc21.CS(=O)(=O)O Homo sapiens CHEMBL644837 assay format
CHEMBL1083069 OBDepict O N H O N N IC50 = 0.48 nM 389.5 O=C1CNc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc2C1 Homo sapiens CHEMBL1119333 single protein format
CHEMBL426441 OBDepict O N H 3 C O N N IC50 = 0.48 nM 389.5 CN1C(=O)Cc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc21 Homo sapiens CHEMBL832763 single protein format
CHEMBL427082 OBDepict O HN N H HN N Cl IC50 = 0.5 nM 517.12 O=C(CCCc1c[nH]c2ccccc12)NCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL1119333 single protein format
CHEMBL199670 OBDepict O N H N H N H N IC50 = 0.5 nM 468.65 O=C(CCCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccccc12 Homo sapiens CHEMBL864026 single protein format
CHEMBL3215816 OBDepict CH 3 N HO HN N H N ClH ClH IC50 = 0.5 nM 569.62 Cc1ccc2ccc(CNCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(O)c2n1.Cl.Cl Homo sapiens CHEMBL1177574 single protein format
CHEMBL389192 OBDepict O N H N H N H N Cl IC50 = 0.5 nM 531.14 O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 Homo sapiens CHEMBL1119333 single protein format
CHEMBL4213792 OBDepict O N H N O O IC50 = 0.51 nM 370.41 O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)C(=O)C2)c1ccccc1 Homo sapiens CHEMBL4192783 single protein format
CHEMBL1085932 OBDepict H 3 C N H O O N CH 3 O O O HO HO HO IC50 = 0.52 nM 576.65 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)O/C(=Cc2cc(O)c(O)c(O)c2)C3=O)c1 Homo sapiens CHEMBL1119333 single protein format
CHEMBL338755 OBDepict CH 3 N HN NH N N Ki = 0.54 nM 507.73 CN(CCCNc1c2c(nc3ccccc13)CCCC2)CCCNc1c2c(nc3ccccc13)CCCC2 Homo sapiens CHEMBL1002717 single protein format
CHEMBL128202 OBDepict H 3 C N O O NH O CH 3 O O IC50 = 0.56 nM 460.53 CCN(CCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(OC(=O)NC)c1 Homo sapiens CHEMBL1119333 single protein format
CHEMBL329231 OBDepict O N H O N N IC50 = 0.57 nM 389.5 O=C1CCc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc2N1 Homo sapiens CHEMBL644837 assay format
CHEMBL32823 OBDepict N H N H N N IC50 = 0.59 nM 492.71 c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3 Homo sapiens CHEMBL832710 single protein format