HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q99538 | LGMN_HUMAN | Legumain (LGMN)

3D structures mapped by conservation among orthologs

[ Domain: "Legumain prodomain" // KOG1348 ]

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[ Domain: "Caspase-like" // Peptidase_C13 ]

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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
CHEMBL4545652 OBDepict N N H H O O H 2 N CH 3 CH 3 S O O N CH 3 N IC50 = 0.12 nM 467.55 Cn1ncc2cccc(-c3ccc(S(=O)(=O)CC(C)(C)C(=O)N[C@H](C#N)CC(N)=O)cc3)c21 Homo sapiens CHEMBL4341724 single protein format
CHEMBL4438891 OBDepict N HN H O O H 2 N CH 3 CH 3 S O O N N H 3 C IC50 = 0.26 nM 467.55 Cn1cc2cc(-c3ccc(S(=O)(=O)CC(C)(C)C(=O)N[C@H](C#N)CC(N)=O)cc3)ccc2n1 Homo sapiens CHEMBL4341724 single protein format
CHEMBL4556228 OBDepict N N H H O O NH 2 CH 3 CH 3 S O O S N IC50 = 0.47 nM 470.58 CC(C)(CS(=O)(=O)c1ccccc1-c1ccc2ncsc2c1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264590 OBDepict CH 3 O O N O H N H O H N O NH 2 IC50 = 0.9 nM 464.52 CCOc1cccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)c1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4549828 OBDepict N HN H O O H 2 N CH 3 CH 3 S O O F IC50 = 1.3 nM 431.49 CC(C)(CS(=O)(=O)c1ccc(-c2cccc(F)c2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL4547118 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O N H 3 C CH 3 H 3 C IC50 = 1.4 nM 470.6 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(C(C)(C)C)nc2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264589 OBDepict N N H H O O NH 2 H N O O O CH 3 IC50 = 3.2 nM 450.5 COc1cccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)c1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4474978 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O N N H 3 C IC50 = 3.6 nM 467.55 Cn1ncc2cc(-c3ccc(S(=O)(=O)CC(C)(C)C(=O)N[C@H](C#N)CC(N)=O)cc3)ccc21 Homo sapiens CHEMBL4341724 single protein format
CHEMBL3741471 OBDepict N N H H O O NH 2 H N S O O H 3 C H 3 C IC50 = 5.0 nM 468.58 CC(C)c1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3264578 OBDepict N NH H O O H 2 N H N O O F IC50 = 5.0 nM 438.46 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4472825 OBDepict H HN N O NH 2 O CH 3 CH 3 S O O F IC50 = 5.5 nM 431.49 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3740153 OBDepict N N H H O O NH 2 H N S O O O H 3 C IC50 = 6.0 nM 456.52 COc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3740378 OBDepict N N H H O O H 2 N H N S O O Cl Cl IC50 = 6.0 nM 495.39 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)c(Cl)c1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL4452627 OBDepict H HN N O NH 2 O CH 3 CH 3 S O O Cl IC50 = 7.1 nM 447.94 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264591 OBDepict N N H H O O NH 2 H N O O O CH 3 CH 3 IC50 = 7.8 nM 478.55 CC(C)Oc1cccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)c1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264593 OBDepict N NH H O O H 2 N H N O O N Cl IC50 = 9.0 nM 455.9 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2ccc(Cl)nc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264583 OBDepict N NH H O O H 2 N H N O O Cl IC50 = 9.0 nM 454.91 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2cccc(Cl)c2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4469392 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O N H 3 C IC50 = 9.8 nM 466.56 Cn1ccc2cc(-c3ccc(S(=O)(=O)CC(C)(C)C(=O)N[C@H](C#N)CC(N)=O)cc3)ccc21 Homo sapiens CHEMBL4341724 single protein format
CHEMBL4516598 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O N F F F IC50 = 10.0 nM 482.48 CC(C)(CS(=O)(=O)c1ccc(-c2cncc(C(F)(F)F)c2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264581 OBDepict N HN H O O NH 2 H N O O F F IC50 = 11.0 nM 456.45 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2ccc(F)c(F)c2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4517035 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O N Cl IC50 = 12.0 nM 448.93 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(Cl)nc2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3740601 OBDepict N N H H O O H 2 N H N S O O IC50 = 12.0 nM 426.5 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL4462167 OBDepict N HN H O O H 2 N CH 3 CH 3 S O O N H 3 C IC50 = 15.0 nM 428.51 Cc1cncc(-c2ccc(S(=O)(=O)CC(C)(C)C(=O)N[C@H](C#N)CC(N)=O)cc2)c1 Homo sapiens CHEMBL4341724 single protein format
CHEMBL4473369 OBDepict N HN H O O H 2 N CH 3 CH 3 S O O N Cl IC50 = 15.0 nM 448.93 CC(C)(CS(=O)(=O)c1ccc(-c2cncc(Cl)c2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264587 OBDepict N NH H O O H 2 N H N O O F F F IC50 = 15.0 nM 488.47 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264272 OBDepict N HN H O O NH 2 H N O O IC50 = 18.0 nM 420.47 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4446264 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O N F F F IC50 = 18.0 nM 482.48 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3741267 OBDepict N N H H O O H 2 N H N S O O F F IC50 = 23.0 nM 462.48 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1F Homo sapiens CHEMBL3744013 single protein format
CHEMBL4549915 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O N H 3 C IC50 = 26.0 nM 428.51 Cc1ccc(-c2ccc(S(=O)(=O)CC(C)(C)C(=O)N[C@H](C#N)CC(N)=O)cc2)cn1 Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264274 OBDepict N N H H O O NH 2 H N O O CH 3 IC50 = 28.0 nM 434.5 Cc1ccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264580 OBDepict N NH H O O H 2 N H N O O F F IC50 = 29.0 nM 456.45 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2cccc(F)c2F)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL417373 OBDepict H 3 C O O O N O N H O O NH 2 HN CH 3 H O NH H 3 C H O O IC50 = 31.0 nM 507.5 CCOC(=O)/C=C/OC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL707896 single protein format
CHEMBL3740253 OBDepict N N H H O O NH 2 H N S O O H 3 C IC50 = 32.0 nM 440.53 Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL4520269 OBDepict H HN N O NH 2 O CH 3 CH 3 S O O F F IC50 = 33.0 nM 449.48 CC(C)(CS(=O)(=O)c1ccc(-c2cccc(F)c2F)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3740368 OBDepict N N H H O O NH 2 H N S O O N IC50 = 33.0 nM 451.51 N#Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3739994 OBDepict N N H H O O H 2 N H N S O O F IC50 = 33.0 nM 444.49 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL4437001 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O F IC50 = 34.0 nM 431.49 CC(C)(CS(=O)(=O)c1ccc(-c2ccccc2F)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3739537 OBDepict N N H H O O H 2 N H N S O O Cl IC50 = 35.0 nM 460.94 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccccc2Cl)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL292589 OBDepict O O O N O HN O O NH 2 N H CH 3 H O NH H 3 C H O O IC50 = 38.0 nM 569.57 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O/C=C/C(=O)OCc1ccccc1 Homo sapiens CHEMBL707896 single protein format
CHEMBL3264582 OBDepict N NH H O O H 2 N H N O O F F IC50 = 41.0 nM 456.45 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2ccc(F)cc2F)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264588 OBDepict N N H H O O H 2 N H N O O O CH 3 IC50 = 41.0 nM 450.5 COc1ccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3741072 OBDepict N N H H O O H 2 N H N S O O Cl IC50 = 45.0 nM 460.94 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3740206 OBDepict N N H H O O H 2 N H N S O O F IC50 = 47.0 nM 444.49 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2cccc(F)c2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3264276 OBDepict N N H H O O NH 2 H N O O CH 3 CH 3 IC50 = 49.0 nM 462.55 CC(C)c1cccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)c1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264273 OBDepict N N H H O O NH 2 H N O O CH 3 IC50 = 49.0 nM 434.5 Cc1cccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)c1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3741002 OBDepict N N H H O O H 2 N H N S O O O O IC50 = 49.0 nM 470.51 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL54825 OBDepict NH 2 O N N H O O O NH H 3 C H N O O CH 3 NH H 3 C H O O IC50 = 55.0 nM 582.61 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O/C=C/C(=O)N(C)Cc1ccccc1 Homo sapiens CHEMBL707896 single protein format
CHEMBL4442344 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O F F F IC50 = 59.0 nM 481.5 CC(C)(CS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264577 OBDepict N NH H O O H 2 N H N O O F IC50 = 60.0 nM 438.46 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2cccc(F)c2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264586 OBDepict N NH H O O H 2 N H N O O F F F IC50 = 65.0 nM 488.47 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2cccc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3740166 OBDepict N N H H O O H 2 N H N S O O F F IC50 = 67.0 nM 462.48 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)c(F)c1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3741594 OBDepict N N H H O O NH 2 H N S O O H 3 C CH 3 H 3 C IC50 = 71.0 nM 482.61 CC(C)(C)c1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3742051 OBDepict N N H H O O NH 2 H N S O O H 3 C IC50 = 71.0 nM 454.55 CCc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3740719 OBDepict N N H H O O H 2 N H N S O O Cl IC50 = 73.0 nM 384.85 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3742365 OBDepict CH 3 O S N O O H N H O H N O NH 2 IC50 = 73.0 nM 470.55 CCOc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL4538455 OBDepict N HN H O O H 2 N CH 3 CH 3 S O O N F IC50 = 78.0 nM 432.48 CC(C)(CS(=O)(=O)c1ccc(-c2cncc(F)c2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264579 OBDepict N NH H O O H 2 N H N O O F F IC50 = 79.0 nM 456.45 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2cc(F)cc(F)c2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4438021 OBDepict N HN H O O H 2 N CH 3 CH 3 S O O F F IC50 = 82.0 nM 449.48 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264278 OBDepict N N H H O O NH 2 H N O O CH 3 H 3 C CH 3 IC50 = 83.0 nM 476.58 CC(C)(C)c1cccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)c1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3741666 OBDepict N N H H O O H 2 N H N S O O F F F IC50 = 93.0 nM 494.5 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL4588754 OBDepict N HN H O O NH 2 CH 3 CH 3 S O O N F IC50 = 96.0 nM 432.48 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(F)nc2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264277 OBDepict N N H H O O NH 2 H N O O CH 3 CH 3 IC50 = 97.0 nM 462.55 CC(C)c1ccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4067280 OBDepict OH N O HS N O N N H CH 3 O Cl Ki = 105.0 nM 382.83 Cn1c(=O)[nH]c(=O)c2c1nc(S)n2CC(O)COc1ccc(Cl)cc1 Homo sapiens CHEMBL4019206 single protein format
CHEMBL3264268 OBDepict N NH H O O H 2 N H N O O Br IC50 = 108.0 nM 423.27 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1cccc(Br)c1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4571494 OBDepict H HN N O NH 2 O CH 3 CH 3 S O O F F IC50 = 110.0 nM 449.48 CC(C)(CS(=O)(=O)c1ccc(-c2cc(F)cc(F)c2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3740086 OBDepict N N H H O O H 2 N H N S O O F F F IC50 = 121.0 nM 494.5 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3264584 OBDepict N NH H O O H 2 N H N O O Cl IC50 = 124.0 nM 454.91 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3746278 OBDepict N N H H O O NH 2 N H 3 C H S O O H 3 C F IC50 = 128.0 nM 446.5 C[C@@H](C(=O)N[C@H](C#N)CC(N)=O)N(Cc1ccc(-c2cccc(F)c2)cc1)S(C)(=O)=O Homo sapiens CHEMBL3750895 single protein format
CHEMBL3264271 OBDepict N N H H O O H 2 N H N O O IC50 = 138.0 nM 420.47 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264594 OBDepict N HN H O O NH 2 H N O O IC50 = 140.0 nM 344.37 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL4527246 OBDepict N HN H O O H 2 N CH 3 CH 3 S O O CH 3 H 3 C IC50 = 160.0 nM 469.61 CC(C)Cc1ccc(-c2ccc(S(=O)(=O)CC(C)(C)C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL4341724 single protein format
CHEMBL4093898 OBDepict H 3 C N O N O CH 3 N N CH 3 SH IC50 = 160.0 nM 240.29 CCn1c(=O)c2c(nc(S)n2C)n(C)c1=O Homo sapiens CHEMBL4019213 single protein format
CHEMBL3264275 OBDepict N N H H O O H 2 N H N O O CH 3 IC50 = 169.0 nM 448.52 CCc1ccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3739853 OBDepict N N H H O O H 2 N H N S O O Cl Cl IC50 = 169.0 nM 495.39 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1Cl Homo sapiens CHEMBL3744013 single protein format
CHEMBL4074941 OBDepict SH N N H 3 C N CH 3 O N O IC50 = 170.0 nM 302.36 Cn1c(S)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C Homo sapiens CHEMBL4019213 single protein format
CHEMBL4092935 OBDepict HS N N H 3 C N CH 3 O N O CH 3 IC50 = 180.0 nM 226.26 Cn1c(=O)c2c(nc(S)n2C)n(C)c1=O Homo sapiens CHEMBL4019213 single protein format
CHEMBL3264267 OBDepict N HN H O O NH 2 H N O O Br IC50 = 192.0 nM 423.27 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1Br Homo sapiens CHEMBL3267446 single protein format
CHEMBL3746674 OBDepict N NH H O O NH 2 N CH 3 H S O O CH 3 F F IC50 = 252.0 nM 464.49 C[C@@H](C(=O)N[C@H](C#N)CC(N)=O)N(Cc1ccc(-c2ccc(F)c(F)c2)cc1)S(C)(=O)=O Homo sapiens CHEMBL3750895 single protein format
CHEMBL3739555 OBDepict N N H H O O H 2 N H N S O O F IC50 = 269.0 nM 368.39 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL4467572 OBDepict N HN H O O H 2 N CH 3 CH 3 S O O Cl Cl IC50 = 280.0 nM 482.39 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3264269 OBDepict N NH H O O H 2 N H N O O Br IC50 = 282.0 nM 423.27 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3741126 OBDepict N N H H O O H 2 N H N S O O Br IC50 = 282.0 nM 429.3 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL4519491 OBDepict H HN N O NH 2 O CH 3 CH 3 S O O F F F IC50 = 290.0 nM 481.5 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3746873 OBDepict N N H H O O NH 2 N H 3 C H S O O H 3 C F F IC50 = 323.0 nM 464.49 C[C@@H](C(=O)N[C@H](C#N)CC(N)=O)N(Cc1ccc(-c2cccc(F)c2F)cc1)S(C)(=O)=O Homo sapiens CHEMBL3750895 single protein format
CHEMBL3739710 OBDepict N N H H O O H 2 N H N S O O F F F IC50 = 332.0 nM 418.4 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL3264592 OBDepict N NH H O O H 2 N H N O O N Cl IC50 = 343.0 nM 455.9 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(-c2cncc(Cl)c2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3264576 OBDepict N N H H O O NH 2 H N O O CH 3 CH 3 CH 3 IC50 = 348.0 nM 476.58 CC(C)(C)c1ccc(-c2ccc(COC(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3267446 single protein format
CHEMBL3746513 OBDepict N NH H O O NH 2 N CH 3 H S O O CH 3 F IC50 = 356.0 nM 446.5 C[C@@H](C(=O)N[C@H](C#N)CC(N)=O)N(Cc1ccc(-c2ccccc2F)cc1)S(C)(=O)=O Homo sapiens CHEMBL3750895 single protein format
CHEMBL4067280 OBDepict OH N O HS N O N N H CH 3 O Cl IC50 = 370.0 nM 382.83 Cn1c(=O)[nH]c(=O)c2c1nc(S)n2CC(O)COc1ccc(Cl)cc1 Homo sapiens CHEMBL4019213 single protein format
CHEMBL3746972 OBDepict N NH H O O H 2 N N CH 3 H S O O H 3 C O H 3 C IC50 = 378.0 nM 458.54 COc1cccc(-c2ccc(CN([C@@H](C)C(=O)N[C@H](C#N)CC(N)=O)S(C)(=O)=O)cc2)c1 Homo sapiens CHEMBL3750895 single protein format
CHEMBL3745937 OBDepict N NH H O O NH 2 N CH 3 S O O CH 3 Cl IC50 = 425.0 nM 462.96 CC(C(=O)N[C@H](C#N)CC(N)=O)N(Cc1ccc(-c2cccc(Cl)c2)cc1)S(C)(=O)=O Homo sapiens CHEMBL3750895 single protein format
CHEMBL3746123 OBDepict CH 3 O N S CH 3 H O O H 3 C HN O H N O NH 2 IC50 = 586.0 nM 472.57 CCOc1cccc(-c2ccc(CN([C@@H](C)C(=O)N[C@H](C#N)CC(N)=O)S(C)(=O)=O)cc2)c1 Homo sapiens CHEMBL3750895 single protein format
CHEMBL3742218 OBDepict N N H H O O H 2 N H N S O O Cl Cl IC50 = 593.0 nM 419.29 N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl Homo sapiens CHEMBL3744013 single protein format
CHEMBL3746339 OBDepict N N H H O O NH 2 N H 3 C H S O O H 3 C F F F IC50 = 601.0 nM 496.51 C[C@@H](C(=O)N[C@H](C#N)CC(N)=O)N(Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O Homo sapiens CHEMBL3750895 single protein format
CHEMBL3954843 OBDepict OH O N H H O O O H N O O CH 3 CH 3 H 3 C IC50 = 704.0 nM 418.45 CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(C)cccc1C Homo sapiens CHEMBL3887167 single protein format
CHEMBL4555719 OBDepict H HN N O NH 2 O CH 3 CH 3 S O O H 3 C CH 3 H 3 C IC50 = 870.0 nM 469.61 CC(C)(CS(=O)(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)N[C@H](C#N)CC(N)=O Homo sapiens CHEMBL4341724 single protein format
CHEMBL3746549 OBDepict N NH H O O H 2 N N CH 3 H S O O H 3 C O CH 3 H 3 C IC50 = 882.0 nM 486.59 CC(C)Oc1cccc(-c2ccc(CN([C@@H](C)C(=O)N[C@H](C#N)CC(N)=O)S(C)(=O)=O)cc2)c1 Homo sapiens CHEMBL3750895 single protein format
CHEMBL3740796 OBDepict N N H H O O NH 2 H N S O O O CH 3 H 3 C IC50 = 969.0 nM 484.58 CC(C)Oc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)N[C@H](C#N)CC(N)=O)cc2)cc1 Homo sapiens CHEMBL3744013 single protein format
CHEMBL55249 OBDepict O NH O N O HN O O NH 2 N H CH 3 H O NH H 3 C H O O IC50 = 1000.0 nM 568.59 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)O/C=C/C(=O)NCc1ccccc1 Homo sapiens CHEMBL707897 single protein format