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Q02083 | NAAA_HUMAN | N-acylethanolamine-hydrolyzing acid amidase (NAAA)

3D structures mapped by conservation among orthologs

[ Domain: "Penicillin acylase, catalytic domain" // UNK_F_TYPE ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4633233 OBDepict N N O F F O CH 3 IC50 = 0.35 nM 370.4 COc1ccc(-c2ccc(COC3(C4CC4)CN(C#N)C3)c(F)c2)cc1F Homo sapiens CHEMBL4610452 single protein format
CHEMBL4640552 OBDepict N N O CH 3 IC50 = 0.46 nM 278.36 Cc1ccc(-c2ccc(COC3CN(C#N)C3)cc2)cc1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4642793 OBDepict N N O F O CH 3 IC50 = 0.47 nM 312.34 COc1cccc(-c2ccc(COC3CN(C#N)C3)c(F)c2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4635208 OBDepict N N O F IC50 = 0.68 nM 282.32 N#CN1CC(OCc2ccc(-c3ccc(F)cc3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4640519 OBDepict N N O F F F O CH 3 IC50 = 0.85 nM 362.35 COc1cccc(-c2ccc(COC3CN(C#N)C3)c(C(F)(F)F)c2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4644090 OBDepict CH 3 O O H 3 C O N N IC50 = 0.88 nM 324.38 COc1cccc(-c2ccc(COC3CN(C#N)C3)cc2)c1OC Homo sapiens CHEMBL4610452 single protein format
CHEMBL4633213 OBDepict N N O O CH 3 IC50 = 0.89 nM 294.35 COc1cccc(-c2ccc(COC3CN(C#N)C3)cc2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4649536 OBDepict CH 3 O O N N IC50 = 0.94 nM 294.35 COc1ccc(-c2ccc(COC3CN(C#N)C3)cc2)cc1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4637701 OBDepict N N O Br O IC50 = 1.03 nM 359.22 N#CN1CC(OCc2ccc(Oc3ccccc3)cc2Br)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4646880 OBDepict N N O O IC50 = 1.1 nM 280.33 N#CN1CC(OCc2ccc(Oc3ccccc3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4632623 OBDepict N N O O IC50 = 1.4 nM 370.45 N#CN1CC(OCc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4635238 OBDepict N N CH 3 N H O O CH 3 IC50 = 1.58 nM 321.38 COc1cccc(-c2ccc(C(=O)NC3(C)CN(C#N)C3)cc2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4645560 OBDepict N N N F O CH 3 IC50 = 1.6 nM 323.37 COc1ccc(-c2ccc3c(c2)CN(C2CN(C#N)C2)C3)cc1F Homo sapiens CHEMBL4610452 single protein format
CHEMBL4646586 OBDepict N N O F F F IC50 = 1.6 nM 332.32 N#CN1CC(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4641417 OBDepict N N CH 3 O O CH 3 IC50 = 1.8 nM 308.38 COc1cccc(-c2ccc(COC3(C)CN(C#N)C3)cc2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4872294 OBDepict H 3 C O S HN O O H H N S IC50 = 2.3 nM 374.49 COc1ccc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H](N=C=S)C3)cc2)cc1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4643427 OBDepict N N O O N IC50 = 2.5 nM 381.44 N#Cc1ccc(-c2cc(Oc3ccccc3)ccc2COC2CN(C#N)C2)cc1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4636322 OBDepict N N O O H 3 C O CH 3 IC50 = 2.8 nM 324.38 COc1cccc(-c2ccc(COC3CN(C#N)C3)c(OC)c2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4642907 OBDepict N N O IC50 = 2.8 nM 264.33 N#CN1CC(OCc2ccc(-c3ccccc3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4637755 OBDepict N N N S O O O H 3 C IC50 = 2.8 nM 369.45 COc1cccc(-c2ccc(S(=O)(=O)N3CCC34CN(C#N)C4)cc2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4643588 OBDepict N N H 3 C HN S O O O H 3 C IC50 = 3.2 nM 357.44 COc1cccc(-c2ccc(S(=O)(=O)NC3(C)CN(C#N)C3)cc2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4848238 OBDepict S N H H HN S O O F O H 3 C IC50 = 3.2 nM 392.48 COc1ccc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H](N=C=S)C3)cc2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL4645262 OBDepict N N O IC50 = 3.4 nM 278.36 N#CN1CC(COCc2ccc(-c3ccccc3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4111175 OBDepict H 3 C H O H N H O O O IC50 = 4.0 nM 305.37 CC[C@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1 Homo sapiens CHEMBL3888533 single protein format
CHEMBL4863412 OBDepict S N H H O F O IC50 = 4.5 nM 355.43 Fc1cc(-c2ccc3c(c2)CCO3)ccc1CO[C@H]1C[C@@H](N=C=S)C1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4638402 OBDepict N N O N F F O CH 3 IC50 = 4.6 nM 407.42 COc1ccc(-c2ccc(COC3(c4cccnc4)CN(C#N)C3)c(F)c2)cc1F Homo sapiens CHEMBL4610452 single protein format
CHEMBL2419811 OBDepict H 3 C O CH 3 H N H O H O O H CH 3 IC50 = 5.0 nM 271.36 CCCCCCC[C@H](C)OC(=O)N[C@H]1C(=O)O[C@H]1C Homo sapiens CHEMBL2421061 cell-based format
CHEMBL2419830 OBDepict O HN O H O O H CH 3 IC50 = 5.0 nM 297.39 C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1 Homo sapiens CHEMBL2421061 cell-based format
CHEMBL4639554 OBDepict N N O O O H 3 C IC50 = 5.7 nM 386.45 COc1ccc(-c2cc(Oc3ccccc3)ccc2COC2CN(C#N)C2)cc1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4638779 OBDepict H 3 C O N O N N IC50 = 5.8 nM 295.34 COc1ncccc1-c1ccc(COC2CN(C#N)C2)cc1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4108761 OBDepict H 3 C H O H N H O O O IC50 = 6.0 nM 325.36 CC[C@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3888533 single protein format
CHEMBL4101070 OBDepict H N H O N H CH 3 O O O S O O CH 3 IC50 = 6.0 nM 452.57 C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4647961 OBDepict O HN O H O N H CH 3 S O O CH 3 IC50 = 6.0 nM 436.57 C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1c1cccc(S(C)(=O)=O)c1 Homo sapiens CHEMBL4610468 single protein format
CHEMBL4093333 OBDepict O NH O H O N H H 3 C O S O O CH 3 IC50 = 6.0 nM 452.57 C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccccc1S(C)(=O)=O Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4643074 OBDepict N N O O O IC50 = 6.1 nM 398.46 N#CN1CC(OCc2ccc(-c3ccc4c(c3)OCCO4)cc2)(c2ccccc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4868148 OBDepict S N H H HN S O O N O H 3 C IC50 = 6.3 nM 375.48 COc1ccc(-c2ccc(S(=O)(=O)N[C@H]3C[C@@H](N=C=S)C3)nc2)cc1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4649749 OBDepict N N N O O H 3 C IC50 = 6.5 nM 333.39 COc1cccc(-c2ccc(C(=O)N3CCC34CN(C#N)C4)cc2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4634952 OBDepict N N O O N IC50 = 6.6 nM 381.44 N#Cc1ccccc1-c1cc(Oc2ccccc2)ccc1COC1CN(C#N)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL3770896 OBDepict H 3 C O NH O H N H O IC50 = 7.0 nM 276.34 CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1 Homo sapiens CHEMBL3772809 cell-based format
CHEMBL4862347 OBDepict CH 3 O O HN O H H N S IC50 = 7.0 nM 354.43 COc1ccc(-c2ccc(OC(=O)N[C@H]3C[C@@H](N=C=S)C3)cc2)cc1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL2419814 OBDepict H N H O O H CH 3 O O IC50 = 7.0 nM 311.34 C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL2421061 cell-based format
CHEMBL2064166 OBDepict O HN O H O O H CH 3 IC50 = 7.3 nM 291.35 C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1 Homo sapiens CHEMBL2072801 cell-based format
CHEMBL4845987 OBDepict S N H H N H O N O CH 3 IC50 = 7.6 nM 339.42 COc1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)nc2)cc1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4854759 OBDepict S N H H O N O IC50 = 8.3 nM 336.42 S=C=N[C@H]1C[C@@H](OCc2ccc(-c3ccc4occc4c3)cn2)C1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4863536 OBDepict S N N IC50 = 8.3 nM 274.43 S=C=NC1CN(CCCCCCc2ccccc2)C1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4637132 OBDepict N N O O IC50 = 8.5 nM 356.43 N#CN1CC(OCc2ccc(Oc3ccccc3)cc2-c2ccccc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4865193 OBDepict S N H H O F O O IC50 = 8.8 nM 357.41 Fc1cc(-c2ccc3c(c2)OCO3)ccc1CO[C@H]1C[C@@H](N=C=S)C1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL3353547 OBDepict O HN O H O O H CH 3 IC50 = 9.0 nM 283.37 C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1 Homo sapiens CHEMBL3888532 single protein format
CHEMBL4215669 OBDepict Cl N O O O IC50 = 9.0 nM 295.77 O=C(CCCCCc1cccc(Cl)c1)N1CCOC1=O Homo sapiens CHEMBL4835860 single protein format
CHEMBL3972433 OBDepict H 3 C H O H N H O O O IC50 = 9.0 nM 305.37 CC[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1 Homo sapiens CHEMBL3888533 single protein format
CHEMBL4641400 OBDepict N N O O CH 3 IC50 = 9.1 nM 370.45 COc1cccc(-c2ccc(COC3(c4ccccc4)CN(C#N)C3)cc2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4637050 OBDepict N N O O O IC50 = 9.2 nM 384.44 N#CN1CC(OCc2ccc(-c3ccc4c(c3)OCO4)cc2)(c2ccccc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL3982757 OBDepict H 3 C O N H O H O O H CH 3 IC50 = 10.0 nM 325.36 CC(OC(=O)N[C@H]1C(=O)O[C@H]1C)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3888532 single protein format
CHEMBL4065712 OBDepict O HN O H O N H CH 3 O S O O H 3 C IC50 = 10.0 nM 452.57 C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1cccc(S(C)(=O)=O)c1 Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4632779 OBDepict N N O O H 3 C IC50 = 11.6 nM 370.45 COc1cccc(-c2ccc(C(OC3CN(C#N)C3)c3ccccc3)cc2)c1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4861067 OBDepict S N H H O F O O IC50 = 11.8 nM 371.43 Fc1cc(-c2ccc3c(c2)OCCO3)ccc1CO[C@H]1C[C@@H](N=C=S)C1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4636756 OBDepict N N O N IC50 = 12.0 nM 265.32 N#CN1CC(OCc2ccc(-c3cccnc3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4111254 OBDepict CH 3 CH 3 H O H HN O O O CH 3 H 3 C IC50 = 12.0 nM 347.46 CC(C)[C@H]1OC(=O)[C@@H]1NC(=O)OC(C)(C)CCCCc1ccccc1 Homo sapiens CHEMBL3888533 single protein format
CHEMBL3770525 OBDepict O NH O H NH O IC50 = 12.0 nM 302.37 O=C(N[C@H]1CNC1=O)OCc1ccc(C2CCCCC2)cc1 Homo sapiens CHEMBL3772809 cell-based format
CHEMBL2419808 OBDepict CH 3 O N H O H O O H CH 3 IC50 = 14.0 nM 305.37 CC(CCCCc1ccccc1)OC(=O)N[C@H]1C(=O)O[C@H]1C Homo sapiens CHEMBL3888532 single protein format
CHEMBL4876872 OBDepict S N H H O H 3 C F F O CH 3 IC50 = 14.6 nM 375.44 COc1ccc(-c2ccc(C(C)O[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL3942817 OBDepict H 3 C H O H N H O O O IC50 = 15.0 nM 325.36 CC[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3888533 single protein format
CHEMBL4873515 OBDepict S N H H O N N F O CH 3 IC50 = 15.0 nM 345.4 COc1cnc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)cn2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL4100949 OBDepict H 3 C O N O H N H O O IC50 = 16.0 nM 298.38 CON1C[C@H](NC(=O)OCCCCC2CCCCC2)C1=O Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4878464 OBDepict H 3 C O O H H N H S O O CH 3 N CH 3 N H IC50 = 16.0 nM 419.55 CCOCc1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1 Homo sapiens CHEMBL4839463 cell-based format
CHEMBL4084145 OBDepict H NH O N H CH 3 O O O + N O _ O IC50 = 17.0 nM 419.48 C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4096232 OBDepict H 3 C O O O N O H CH 3 H N H O O IC50 = 17.0 nM 432.52 COC(=O)c1ccc(ON2C(=O)[C@@H](NC(=O)OCCCCC3CCCCC3)[C@@H]2C)cc1 Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4864438 OBDepict H 3 C N N O H H N H S O O CH 3 N CH 3 N H IC50 = 17.0 nM 419.55 CCCCc1cnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cn1 Homo sapiens CHEMBL4839463 cell-based format
CHEMBL4112296 OBDepict O HN O H O O H CH 3 CH 3 IC50 = 19.0 nM 319.4 CC(C)[C@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1 Homo sapiens CHEMBL3888533 single protein format
CHEMBL4863119 OBDepict H 3 C O H H N H S O O H 3 C N CH 3 N H IC50 = 19.0 nM 445.63 CCCCCCc1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1 Homo sapiens CHEMBL4839463 cell-based format
CHEMBL4862325 OBDepict S N H H O N F N F O CH 3 IC50 = 19.5 nM 363.39 COc1cnc(-c2cnc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL4874855 OBDepict S N H H O N F O CH 3 IC50 = 20.0 nM 344.41 COc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)nc2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL2419828 OBDepict O HN O H O O H CH 3 O IC50 = 20.0 nM 293.32 C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCOCc1ccccc1 Homo sapiens CHEMBL2421061 cell-based format
CHEMBL4867452 OBDepict S N H H O F F O CH 3 IC50 = 20.6 nM 361.41 COc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)c(F)c2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL4648948 OBDepict H 3 C N N N IC50 = 20.8 nM 277.37 CN(Cc1ccc(-c2ccccc2)cc1)C1CN(C#N)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4073792 OBDepict H HN O N H H 3 C O O O H 3 C IC50 = 21.0 nM 388.51 Cc1ccc(ON2C(=O)[C@@H](NC(=O)OCCCCC3CCCCC3)[C@@H]2C)cc1 Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4860338 OBDepict S N H H O O CH 3 IC50 = 22.0 nM 325.43 COc1cccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)cc2)c1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL3771111 OBDepict O NH O H NH O O O F F IC50 = 22.0 nM 300.22 O=C(N[C@H]1CNC1=O)OCc1ccc2c(c1)OC(F)(F)O2 Homo sapiens CHEMBL3772809 cell-based format
CHEMBL4857027 OBDepict S N H H N H O O CH 3 IC50 = 22.5 nM 332.47 COc1ccc(CCCCCC(=O)N[C@H]2C[C@@H](N=C=S)C2)cc1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4100592 OBDepict H NH O N H CH 3 O O O IC50 = 23.0 nM 374.48 C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccccc1 Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4112084 OBDepict CH 3 CH 3 H O H HN O O O IC50 = 23.0 nM 339.39 CC(C)[C@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3888533 single protein format
CHEMBL4643312 OBDepict H 3 C O H H N H S O O CH 3 N CH 3 N H IC50 = 23.0 nM 431.6 CCCCc1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CS(=O)(=O)c2c(C)n[nH]c2C)cc1 Homo sapiens CHEMBL4612017 single protein format
CHEMBL4848541 OBDepict H 3 C O H H N H S O O CH 3 N CH 3 N H IC50 = 23.0 nM 417.58 CCCCc1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1 Homo sapiens CHEMBL4839463 cell-based format
CHEMBL4845984 OBDepict S N H H O + N _ O N F O CH 3 IC50 = 23.5 nM 361.4 COc1cnc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)[n+]([O-])c2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL4637179 OBDepict N N O O O CH 3 IC50 = 23.7 nM 386.45 COc1ccccc1-c1cc(Oc2ccccc2)ccc1COC1CN(C#N)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4847120 OBDepict H O H N S CH 3 IC50 = 26.0 nM 309.43 Cc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)cc2)cc1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4645479 OBDepict N N H O IC50 = 26.4 nM 278.36 N#CN1CC[C@@H](OCc2ccc(-c3ccccc3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4864610 OBDepict S N H H N H O N F O CH 3 IC50 = 26.6 nM 357.41 COc1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](N=C=S)C3)nc2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL3770726 OBDepict O NH O H NH O IC50 = 27.0 nM 268.36 O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 Homo sapiens CHEMBL3772809 cell-based format
CHEMBL4633126 OBDepict N N O IC50 = 29.0 nM 250.3 N#CN1CC(Oc2ccc(-c3ccccc3)cc2)C1 Homo sapiens CHEMBL4610452 single protein format
CHEMBL4218684 OBDepict S N IC50 = 30.0 nM 275.46 S=C=NCCCCCCCCCCc1ccccc1 Homo sapiens CHEMBL4177806 single protein format
CHEMBL4873607 OBDepict S N H H O N N O CH 3 IC50 = 30.4 nM 327.41 COc1ccc(-c2ccc(CO[C@H]3C[C@@H](N=C=S)C3)nc2)nc1 Homo sapiens CHEMBL4835807 single protein format
CHEMBL4062436 OBDepict H N H O N H CH 3 O O O F F F IC50 = 31.0 nM 442.48 C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL4003210 cell-based format
CHEMBL3769844 OBDepict O NH O H N H O IC50 = 33.0 nM 254.33 O=C(N[C@H]1CNC1=O)OCCCCC1CCCC1 Homo sapiens CHEMBL3772811 cell-based format
CHEMBL4860428 OBDepict S N H H O F O CH 3 IC50 = 35.9 nM 329.4 COc1ccc(-c2ccc(O[C@H]3C[C@@H](N=C=S)C3)cc2)cc1F Homo sapiens CHEMBL4835807 single protein format
CHEMBL4871884 OBDepict CH 3 O H H N H S O O CH 3 N H 3 C N H IC50 = 36.0 nM 375.49 Cc1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2c(C)n[nH]c2C)cc1 Homo sapiens CHEMBL4839463 cell-based format
CHEMBL4111700 OBDepict CH 3 CH 3 H O H HN O O O IC50 = 37.0 nM 339.39 CC(C)[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3888533 single protein format
CHEMBL3770558 OBDepict H 3 C O N H O H HN O IC50 = 37.0 nM 242.32 CCCCCCCCOC(=O)N[C@H]1CNC1=O Homo sapiens CHEMBL3772811 cell-based format
CHEMBL4074330 OBDepict O HN O H O N H CH 3 O IC50 = 39.0 nM 450.58 C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL4003210 cell-based format
CHEMBL4641015 OBDepict H 3 C O N O N N IC50 = 40.0 nM 295.34 COc1ccncc1-c1ccc(COC2CN(C#N)C2)cc1 Homo sapiens CHEMBL4610452 single protein format