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Q16853 | AOC3_HUMAN | Membrane primary amine oxidase (AOC3)

3D structures mapped by conservation among orthologs

[ Domain: "supersandwich" // Cu_amine_oxid ]

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[ Domain: "Amine oxidase N-terminal region" // Cu_amine_oxidN2 ]

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[ Domain: "Amine oxidase N-terminal region" // Cu_amine_oxidN3 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL3897599 OBDepict H 2 N O F N H O CH 3 H 3 C CH 3 ClH IC50 = 5.0 nM 316.8 CC(C)(C)NC(=O)c1ccc(OC/C(=C/F)CN)cc1.Cl Homo sapiens CHEMBL3870772 single protein format
CHEMBL3643999 OBDepict NH 2 N O H 3 C N N N N N CH 3 O HO IC50 = 6.9 nM 501.59 Cc1cc(/C=C/C(=O)O)cnc1N1CCN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1 Homo sapiens CHEMBL3705460 assay format
CHEMBL3644015 OBDepict H 2 N N O CH 3 N N N N IC50 = 7.0 nM 414.51 CN(Cc1cccc(-c2cnc(N3CC=C(c4cccnc4)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL4077021 OBDepict NH 2 NH HN O O F N N N O ClH IC50 = 9.2 nM 410.84 Cl.N=C(N)NC(=O)OCc1cccc(-c2cnc(N3CCOCC3)nc2)c1F Homo sapiens CHEMBL4047930 cell-based format
CHEMBL3644003 OBDepict NH 2 N O H 3 C N N N N N CH 3 O HO IC50 = 9.4 nM 503.61 Cc1cc(CCC(=O)O)cnc1N1CCN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1 Homo sapiens CHEMBL3705460 assay format
CHEMBL2029546 OBDepict NH 2 F O N H O IC50 = 10.0 nM 306.38 NC/C=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL3644011 OBDepict NH 2 N O CH 3 N N N N IC50 = 11.0 nM 374.45 CN(Cc1cccc(-c2cnc(N3Cc4cccnc4C3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL4087881 OBDepict NH 2 HN NH O O N N N ClH ClH ClH IC50 = 13.0 nM 463.8 Cl.Cl.Cl.N=C(N)NC(=O)OCc1cccc(N2CCN(c3ccncc3)CC2)c1 Homo sapiens CHEMBL4047930 cell-based format
CHEMBL3644016 OBDepict H 2 N N O CH 3 N N N S O O IC50 = 17.0 nM 389.48 CN(Cc1cccc(-c2cnc(N3CCS(=O)(=O)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL4068948 OBDepict OH O HO H OH H O OH H 2 N HN NH O O F N N N IC50 = 17.0 nM 522.49 N=C(N)NC(=O)OCc1cccc(N2CCN(c3cccnc3)CC2)c1F.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4047930 cell-based format
CHEMBL3644010 OBDepict NH 2 N O CH 3 N N N N CH 3 N IC50 = 18.0 nM 431.54 Cc1ncccc1N1CCN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1 Homo sapiens CHEMBL3705460 assay format
CHEMBL3644000 OBDepict H 2 N N O CH 3 N N N N N Cl O OH IC50 = 18.0 nM 495.97 CN(Cc1cccc(-c2cnc(N3CCN(c4ncc(C(=O)O)cc4Cl)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL2392121 OBDepict CH 3 NH O S N N N H H 2 N ClH IC50 = 19.0 nM 377.9 CC(=O)Nc1nc(CCc2ccc(Cc3c[nH]c(N)n3)cc2)cs1.Cl Homo sapiens CHEMBL2393976 cell-based format
CHEMBL3110302 OBDepict CH 3 N N N H N O N N N N H Cl ClH IC50 = 20.0 nM 499.41 CN1CCN(c2ccc(Nc3cc(=O)n(-c4ccc(Cl)cc4)nc3-c3nc[nH]n3)cc2)CC1.Cl Homo sapiens CHEMBL3112059 cell-based format
CHEMBL2029545 OBDepict NH 2 F O HN O IC50 = 20.0 nM 292.35 NC/C=C(/F)COc1ccc(C(=O)NC2CCCC2)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL1489913 OBDepict H N N O H O IC50 = 20.0 nM 112.09 O=c1ccc(=O)[nH][nH]1 Homo sapiens CHEMBL3293751 single protein format
CHEMBL2029534 OBDepict NH 2 F O S CH 3 IC50 = 20.0 nM 227.3 CSc1ccc(OC/C(F)=CCN)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL2376161 OBDepict NH 2 N H NH N S NH O H 3 C S O O CH 3 IC50 = 20.0 nM 471.61 CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1 Homo sapiens CHEMBL2378525 cell-based format
CHEMBL3644012 OBDepict NH 2 N O CH 3 N N N S N CH 3 IC50 = 20.0 nM 408.53 Cc1nc2c(s1)CN(c1ncc(-c3cccc(CN(C)C(=O)CN)c3)cn1)CC2 Homo sapiens CHEMBL3705460 assay format
CHEMBL537623 OBDepict H 3 C NH N NH 2 N CH 3 CH 3 ClH ClH IC50 = 20.0 nM 281.23 CCNc1cncc(N(C)CC)c1CN.Cl.Cl Homo sapiens CHEMBL832086 single protein format
CHEMBL489079 OBDepict H 2 N F F IC50 = 20.0 nM 197.23 NC/C(=C/F)CCc1ccc(F)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL3644014 OBDepict H 2 N N O CH 3 N N N N IC50 = 23.0 nM 416.53 CN(Cc1cccc(-c2cnc(N3CCC(c4cccnc4)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL4074717 OBDepict H 2 N N O CH 3 N N N N O HO ClH ClH IC50 = 24.0 nM 533.46 CN(Cc1cccc(-c2cnc(N3CCN(c4ccc(C(=O)O)cc4)CC3)nc2)c1)C(=O)CN.Cl.Cl Homo sapiens CHEMBL4055636 cell-based format
CHEMBL4094310 OBDepict HO O OH H OH H O HO H 2 N NH HN O O F N O N CH 3 IC50 = 25.0 nM 523.47 Cc1ccc(OC2CN(c3cccc(COC(=O)NC(=N)N)c3F)C2)cn1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4047930 cell-based format
CHEMBL3644018 OBDepict H 2 N N O CH 3 N N N N Cl O OH IC50 = 25.0 nM 494.98 CN(Cc1cccc(-c2cnc(N3CCN(c4ccc(C(=O)O)cc4Cl)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL4063342 OBDepict H 2 N N O CH 3 N N N N Cl O HO ClH ClH IC50 = 25.0 nM 567.91 CN(Cc1cccc(-c2cnc(N3CCN(c4ccc(C(=O)O)cc4Cl)CC3)nc2)c1)C(=O)CN.Cl.Cl Homo sapiens CHEMBL4055636 cell-based format
CHEMBL2029549 OBDepict H 2 N F O N H O CH 3 H IC50 = 30.0 nM 328.39 C[C@@H](NC(=O)c1ccc(OC/C(F)=CCN)cc1)c1ccccc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL4068336 OBDepict HO O OH H OH H O HO H 2 N O N CH 3 N N N O IC50 = 31.0 nM 491.5 CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4055636 cell-based format
CHEMBL3644001 OBDepict H 2 N N O CH 3 N N N N N Cl O HO IC50 = 31.0 nM 522.01 CN(Cc1cccc(-c2cnc(N3CCN(c4ncc(/C=C/C(=O)O)cc4Cl)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL4098023 OBDepict NH 2 HN NH O O N N N ClH ClH ClH IC50 = 31.0 nM 463.8 Cl.Cl.Cl.N=C(N)NC(=O)OCc1cccc(N2CCN(c3cccnc3)CC2)c1 Homo sapiens CHEMBL4047930 cell-based format
CHEMBL4077840 OBDepict HO O OH H OH H O HO H 2 N N O CH 3 N N N O IC50 = 31.0 nM 491.5 CN(Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1)C(=O)CN.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4047930 cell-based format
CHEMBL3643997 OBDepict NH 2 N O CH 3 N N N N N CH 3 IC50 = 32.0 nM 431.54 Cc1cccnc1N1CCN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)CC1 Homo sapiens CHEMBL3705460 assay format
CHEMBL3644004 OBDepict NH 2 N O CH 3 N N N O IC50 = 32.0 nM 341.42 CN(Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL3655077 OBDepict CH 3 H 3 C N N O O N H N IC50 = 34.0 nM 300.36 CC(C)C1c2[nH]cnc2CCN1C(=O)OCc1cccnc1 Homo sapiens CHEMBL3705100 single protein format
CHEMBL2376169 OBDepict NH 2 N H HN N S NH O H 3 C S O O CH 3 ClH IC50 = 34.0 nM 494.04 CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1.Cl Homo sapiens CHEMBL2378525 cell-based format
CHEMBL2376162 OBDepict NH 2 N H HN N S NH O H 3 C S O O CH 3 IC50 = 36.0 nM 471.61 CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(Cc2cccc(S(C)(=O)=O)c2)s1 Homo sapiens CHEMBL2378525 cell-based format
CHEMBL2029550 OBDepict H 2 N F O N H O CH 3 H IC50 = 40.0 nM 328.39 C[C@H](NC(=O)c1ccc(OC/C(F)=CCN)cc1)c1ccccc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL1766380 OBDepict NH 2 N H OH H IC50 = 40.0 nM 152.2 NNC[C@H](O)c1ccccc1 Homo sapiens CHEMBL1769940 cell-based format
CHEMBL2029548 OBDepict H 2 N F O N H O CH 3 IC50 = 40.0 nM 328.39 CC(NC(=O)c1ccc(OC/C(F)=CCN)cc1)c1ccccc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL2029539 OBDepict NH 2 F O F F F IC50 = 40.0 nM 249.21 NC/C=C(/F)COc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL4077779 OBDepict OH O HO H OH H O OH H 2 N N H HN O O F N O H 3 C N IC50 = 40.0 nM 523.47 Cc1ncccc1OC1CN(c2cccc(COC(=O)NC(=N)N)c2F)C1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4047930 cell-based format
CHEMBL4082458 OBDepict HO O OH H OH H O HO OH N N N N CH 3 O NH 2 IC50 = 45.0 nM 533.58 CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCC(CCO)CC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4055636 cell-based format
CHEMBL4095186 OBDepict OH O HO H OH H O OH NH 2 HN NH O O F N O N IC50 = 45.0 nM 537.5 N=C(N)NC(=O)OCc1cccc(N2CCC(Oc3cccnc3)CC2)c1F.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4047930 cell-based format
CHEMBL4066376 OBDepict HO O OH H OH H O HO NH 2 HN NH O O N N N O IC50 = 47.0 nM 506.47 N=C(N)NC(=O)OCc1cccc(-c2cnc(N3CCOCC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4047930 cell-based format
CHEMBL3655078 OBDepict CH 3 H 3 C N N O O N H O IC50 = 48.0 nM 329.4 CC(C)C1c2[nH]cnc2CCN1C(=O)OCCOc1ccccc1 Homo sapiens CHEMBL3705100 single protein format
CHEMBL3644002 OBDepict H 2 N N O CH 3 N N N N O IC50 = 48.0 nM 424.55 CN(Cc1cccc(-c2cnc(N3CCC(N4CCOCC4)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL3644005 OBDepict NH 2 N O CH 3 N N N IC50 = 49.0 nM 325.42 CN(Cc1cccc(-c2cnc(N3CCCC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL3643998 OBDepict NH 2 N O CH 3 N N N H F IC50 = 49.0 nM 343.41 CN(Cc1cccc(-c2cnc(N3CC[C@H](F)C3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL2375367 OBDepict NH 2 N H NH N S NH O H 3 C S O O NH 2 ClH IC50 = 53.0 nM 509.06 CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(Cc2ccc(S(N)(=O)=O)cc2)s1.Cl Homo sapiens CHEMBL2378525 cell-based format
CHEMBL4096880 OBDepict HO O OH H OH H O HO H 2 N O N CH 3 N N O IC50 = 55.0 nM 490.51 CN(CC(N)=O)Cc1cccc(-c2ccc(N3CCOCC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4055636 cell-based format
CHEMBL4103619 OBDepict HO O OH H OH H O HO H 2 N HN NH O N N N O IC50 = 56.0 nM 490.47 N=C(N)NC(=O)Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4047930 cell-based format
CHEMBL3644006 OBDepict NH 2 N O CH 3 N N N H CH 3 O H CH 3 IC50 = 61.0 nM 369.47 C[C@H]1CN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)C[C@@H](C)O1 Homo sapiens CHEMBL3705460 assay format
CHEMBL3644007 OBDepict OH O N N N N CH 3 O NH 2 IC50 = 66.0 nM 371.44 CN(Cc1cccc(-c2cnc(N3CCOC(CO)C3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL2029537 OBDepict NH 2 F O + N O _ O IC50 = 70.0 nM 226.21 NC/C=C(/F)COc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL3110303 OBDepict H N N N N N N H O IC50 = 71.0 nM 336.4 O=c1cc(NC2CCCCC2)c(-c2nc[nH]n2)nn1-c1ccccc1 Homo sapiens CHEMBL3112059 cell-based format
CHEMBL3644013 OBDepict H 2 N N O CH 3 N N N N N Cl IC50 = 72.0 nM 451.96 CN(Cc1cccc(-c2cnc(N3CCN(c4ncccc4Cl)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL2029547 OBDepict NH 2 F O NH O IC50 = 80.0 nM 314.36 NC/C=C(/F)COc1ccc(C(=O)NCc2ccccc2)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL3644008 OBDepict NH 2 N O CH 3 N N H CH 3 O H CH 3 IC50 = 81.0 nM 368.48 C[C@H]1CN(c2ccc(-c3cccc(CN(C)C(=O)CN)c3)cn2)C[C@@H](C)O1 Homo sapiens CHEMBL3705460 assay format
CHEMBL3964548 OBDepict OH O O OH NH 2 N O H 3 C N H N O O IC50 = 83.0 nM 472.5 CN(Cc1cccc(-c2ccc(NC(=O)N3CCOCC3)cc2)c1)C(=O)CN.O=C(O)C(=O)O Homo sapiens CHEMBL3870758 cell-based format
CHEMBL3644017 OBDepict H 2 N N O CH 3 N N N N N N IC50 = 90.0 nM 442.53 CN(Cc1cccc(-c2cnc(N3CCN(c4ccc(C#N)nc4)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL3655079 OBDepict CH 3 CH 3 N N O O N H O IC50 = 91.0 nM 293.37 CC(C)C1c2[nH]cnc2CCN1C(=O)OCC1CCOC1 Homo sapiens CHEMBL3705100 single protein format
CHEMBL4095865 OBDepict NH 2 HN NH O O F N N N O ClH ClH IC50 = 99.0 nM 447.3 Cl.Cl.N=C(N)NC(=O)OCc1ccc(F)c(-c2cnc(N3CCOCC3)nc2)c1 Homo sapiens CHEMBL4047930 cell-based format
CHEMBL4059565 OBDepict HO O OH H OH H O HO NH 2 HN NH O O N N O IC50 = 110.0 nM 511.53 N=C(N)NC(=O)OCc1cccc(N2CCN(C3CCOCC3)CC2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4047930 cell-based format
CHEMBL538353 OBDepict H 2 N S S N CH 3 CH 3 ClH ClH IC50 = 130.0 nM 301.31 CCSc1cncc(SCC)c1CN.Cl.Cl Homo sapiens CHEMBL832086 single protein format
CHEMBL4092744 OBDepict HO O OH H OH H O HO CH 3 N O NH 2 N N N HO IC50 = 130.0 nM 505.53 CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCC(O)CC3)nc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL4055636 cell-based format
CHEMBL4079999 OBDepict NH 2 HN NH O O N N N ClH ClH ClH IC50 = 140.0 nM 463.8 Cl.Cl.Cl.N=C(N)NC(=O)OCc1cccc(N2CCN(c3ccccn3)CC2)c1 Homo sapiens CHEMBL4047930 cell-based format
CHEMBL2029543 OBDepict NH 2 F O N O IC50 = 140.0 nM 278.33 NC/C=C(/F)COc1ccc(C(=O)N2CCCC2)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL4101409 OBDepict H 2 N N O CH 3 N N N O OH ClH ClH IC50 = 140.0 nM 484.43 CN(Cc1cccc(-c2cnc(N3CCC(CCC(=O)O)CC3)nc2)c1)C(=O)CN.Cl.Cl Homo sapiens CHEMBL4055636 cell-based format
CHEMBL3644009 OBDepict H 2 N N O CH 3 N N N HO IC50 = 140.0 nM 355.44 CN(Cc1cccc(-c2cnc(N3CCC(O)CC3)nc2)c1)C(=O)CN Homo sapiens CHEMBL3705460 assay format
CHEMBL2029540 OBDepict NH 2 F O F F F IC50 = 150.0 nM 249.21 NC/C=C(/F)COc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL1766381 OBDepict NH 2 N H OH H IC50 = 150.0 nM 152.2 NNC[C@@H](O)c1ccccc1 Homo sapiens CHEMBL1769940 cell-based format
CHEMBL536484 OBDepict NH 2 O O N OH OH ClH ClH IC50 = 150.0 nM 357.28 Cl.Cl.NCc1c(OCCCCO)cncc1OCCCCO Homo sapiens CHEMBL832086 single protein format
CHEMBL2376166 OBDepict NH 2 N H NH N S NH O H 3 C S N O O CH 3 H 3 C ClH IC50 = 150.0 nM 537.11 CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(Cc2ccc(S(=O)(=O)N(C)C)cc2)s1.Cl Homo sapiens CHEMBL2378525 cell-based format
CHEMBL2029531 OBDepict NH 2 F O O CH 3 IC50 = 160.0 nM 211.24 COc1ccc(OC/C(F)=CCN)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL2376164 OBDepict H 2 N N H HN N S HN O CH 3 S O O H 3 C ClH IC50 = 160.0 nM 522.1 CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(CCc2ccc(S(C)(=O)=O)cc2)s1.Cl Homo sapiens CHEMBL2378525 cell-based format
CHEMBL4060583 OBDepict NH 2 HN NH O O N N O ClH ClH ClH IC50 = 160.0 nM 470.83 Cl.Cl.Cl.N=C(N)NC(=O)OCc1cccc(N2CCC(N3CCOCC3)CC2)c1 Homo sapiens CHEMBL4047930 cell-based format
CHEMBL537401 OBDepict H 2 N O O N CH 3 CH 3 ClH ClH IC50 = 170.0 nM 269.17 CCOc1cncc(OCC)c1CN.Cl.Cl Homo sapiens CHEMBL832086 single protein format
CHEMBL3919913 OBDepict H 2 N N H O ClH IC50 = 180.0 nM 276.77 Cl.NCC(=O)NCc1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3870758 cell-based format
CHEMBL2029536 OBDepict NH 2 F O O F F F IC50 = 180.0 nM 265.21 NC/C=C(/F)COc1ccc(OC(F)(F)F)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL2029538 OBDepict H 2 N F O F F IC50 = 190.0 nM 217.19 NC/C=C(/F)COc1ccc(F)c(F)c1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL2029535 OBDepict H 2 N F O CH 3 H 3 C CH 3 IC50 = 210.0 nM 237.32 CC(C)(C)c1ccc(OC/C(F)=CCN)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL2376163 OBDepict CH 3 NH O N S N H HN NH 2 ClH IC50 = 210.0 nM 429.98 CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(Cc2ccccc2)s1.Cl Homo sapiens CHEMBL2378525 cell-based format
CHEMBL2326864 OBDepict H 2 N N H NH N S NH O CH 3 IC50 = 230.0 nM 303.39 CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)cs1 Homo sapiens CHEMBL2327672 cell-based format
CHEMBL4071971 OBDepict OH H N N N N CH 3 O NH 2 ClH ClH IC50 = 240.0 nM 428.36 CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCC[C@H]3CO)nc2)c1.Cl.Cl Homo sapiens CHEMBL4055636 cell-based format
CHEMBL3894903 OBDepict H 2 N N O CH 3 Cl ClH IC50 = 240.0 nM 325.24 CN(Cc1cccc(-c2ccc(Cl)cc2)c1)C(=O)CN.Cl Homo sapiens CHEMBL3870758 cell-based format
CHEMBL2029532 OBDepict NH 2 F O O IC50 = 240.0 nM 273.31 NC/C=C(/F)COc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL2029533 OBDepict H 2 N F O Cl IC50 = 250.0 nM 215.66 NC/C=C(/F)COc1cccc(Cl)c1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL4076388 OBDepict H 2 N O N CH 3 N N N ClH ClH IC50 = 250.0 nM 412.37 CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCCCC3)nc2)c1.Cl.Cl Homo sapiens CHEMBL4055636 cell-based format
CHEMBL2029544 OBDepict H 2 N F O N O CH 3 IC50 = 260.0 nM 328.39 CN(Cc1ccccc1)C(=O)c1ccc(OC/C(F)=CCN)cc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL3941188 OBDepict OH O O OH H 2 N N O CH 3 NH N O CH 3 CH 3 IC50 = 280.0 nM 430.46 CN(C)C(=O)Nc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1.O=C(O)C(=O)O Homo sapiens CHEMBL3870758 cell-based format
CHEMBL1766384 OBDepict CH 3 N NH 2 H HO H IC50 = 280.0 nM 242.32 CN(N)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 Homo sapiens CHEMBL1769940 cell-based format
CHEMBL3110304 OBDepict CH 3 HN H 3 C N O N N N N H IC50 = 290.0 nM 296.33 CC(C)Nc1cc(=O)n(-c2ccccc2)nc1-c1nc[nH]n1 Homo sapiens CHEMBL3112059 cell-based format
CHEMBL2029527 OBDepict H 2 N F O IC50 = 290.0 nM 181.21 NC/C=C(/F)COc1ccccc1 Homo sapiens CHEMBL2034300 single protein format
CHEMBL4059576 OBDepict OH H N N N N CH 3 O NH 2 ClH ClH IC50 = 300.0 nM 428.36 CN(CC(N)=O)Cc1cccc(-c2cnc(N3CCC[C@@H]3CO)nc2)c1.Cl.Cl Homo sapiens CHEMBL4055636 cell-based format
CHEMBL2376165 OBDepict CH 3 O O S N N H O CH 3 NH NH H 2 N ClH IC50 = 320.0 nM 488.01 COC(=O)c1ccc(Cc2sc(NC(C)=O)nc2CCc2ccc(NC(=N)N)cc2)cc1.Cl Homo sapiens CHEMBL2378525 cell-based format
CHEMBL3960949 OBDepict HO O OH H OH H O HO NH 2 N O CH 3 N N CH 3 IC50 = 330.0 nM 502.57 CN1CCN(c2ccc(-c3cccc(CN(C)C(=O)CN)c3)cc2)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O Homo sapiens CHEMBL3870758 cell-based format
CHEMBL1766387 OBDepict CH 3 N NH 2 H HO H IC50 = 330.0 nM 242.32 CN(N)[C@H](c1ccccc1)[C@@H](O)c1ccccc1 Homo sapiens CHEMBL1769940 cell-based format
CHEMBL2326875 OBDepict H 2 N HN NH N S N H O CH 3 ClH IC50 = 330.0 nM 339.85 CC(=O)Nc1nc(-c2ccc(CCNC(=N)N)cc2)cs1.Cl Homo sapiens CHEMBL2327672 cell-based format
CHEMBL3923237 OBDepict OH O O HO H 2 N N O CH 3 N O IC50 = 340.0 nM 429.47 CN(Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1)C(=O)CN.O=C(O)C(=O)O Homo sapiens CHEMBL3870758 cell-based format
CHEMBL2029542 OBDepict H 2 N F O N O CH 3 CH 3 IC50 = 370.0 nM 252.29 CN(C)C(=O)c1ccc(OC/C(F)=CCN)cc1 Homo sapiens CHEMBL2034300 single protein format