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Q9UGL1 | KDM5B_HUMAN | Lysine-specific demethylase 5B (KDM5B)

3D structures mapped by conservation among orthologs

[ Domain: "Double-stranded beta-helix" // JmjC ]

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[ Domain: "FYVE/PHD zinc finger" // PHD_5 ]

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[ Domain: "FYVE/PHD zinc finger" // PHD_1 ]

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[ Domain: "LIM domain-like" // zf-C5HC2 ]

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[ Domain: "C-terminal helical domain in Jumonji domain-containing histone demethylases" // KOG1246_1st ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4229271 OBDepict N O N N N O OH IC50 = 0.6 nM 320.31 N#Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4567766 OBDepict O N H N N N N N N Ki = 1.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(-c6cccnc6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353731 single protein format
CHEMBL4228806 OBDepict H 3 C N CH 3 N O N N O OH F IC50 = 1.0 nM 384.41 CN(C)CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4438830 OBDepict CH 3 N H 3 C N N N N N N O H Ki = 1.0 nM 471.61 CN(C)CCc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353731 single protein format
CHEMBL4225358 OBDepict OH O N N N O IC50 = 1.0 nM 295.3 O=C(O)c1ccnc(-n2nccc2OCc2ccccc2)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4228292 OBDepict CH 3 O Cl O N N N O OH IC50 = 1.0 nM 359.77 COc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4542928 OBDepict H 3 C N CH 3 N H CH 3 CH 3 O N N N IC50 = 1.34 nM 419.57 CCCCCCN(C)CCc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1 Homo sapiens CHEMBL4424784 cell-based format
CHEMBL3774537 OBDepict Cl N N N N N N O H Ki = 2.0 nM 434.93 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(Cl)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353731 single protein format
CHEMBL4573390 OBDepict Cl H 3 C N N N N N N O H Ki = 2.0 nM 448.96 CC1(c2cccc(Cl)c2)CCN(CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1 Homo sapiens CHEMBL4353731 single protein format
CHEMBL3786952 OBDepict Cl CH 3 O N N N O OH IC50 = 2.0 nM 343.77 Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4226978 OBDepict Br O N N N O OH IC50 = 2.0 nM 374.19 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Br)cc2)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4447515 OBDepict F N N N N N N O H Ki = 3.0 nM 418.48 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353731 single protein format
CHEMBL4227237 OBDepict CH 3 O N N N O HO IC50 = 3.0 nM 323.35 CCc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4227526 OBDepict Cl O O N N N O HO IC50 = 4.0 nM 435.87 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2OCc2ccccc2)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4228087 OBDepict CH 3 O N N N O OH IC50 = 4.0 nM 309.32 Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4228610 OBDepict CH 3 O O N N N O HO IC50 = 4.0 nM 325.32 COc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4225013 OBDepict F O N N N O OH IC50 = 4.0 nM 313.29 O=C(O)c1ccnc(-n2nccc2OCc2ccc(F)cc2)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4585876 OBDepict H 3 C N H 3 C N N N N N N O H Ki = 4.0 nM 471.61 CN(C)CCc1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL4353731 single protein format
CHEMBL4228546 OBDepict Cl F O N N N O OH IC50 = 4.0 nM 347.73 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2F)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4229264 OBDepict H 3 C O Cl O N N N O OH IC50 = 4.0 nM 373.8 CCOc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL3785583 OBDepict N N N N H O N N CH 3 CH 3 CH 3 CH 3 CH 3 IC50 = 4.7 nM 324.39 CC(C)c1c(-c2cnn(C(C)(C)C)c2)[nH]c2c(C#N)cnn2c1=O Homo sapiens CHEMBL4427162 single protein format
CHEMBL4225515 OBDepict Cl O O N N N O HO IC50 = 6.0 nM 399.83 O=C(O)c1ccnc(-n2nccc2OCc2ccc(Cl)cc2OCC2CC2)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4438830 OBDepict CH 3 N H 3 C N N N N N N O H IC50 = 6.0 nM 471.61 CN(C)CCc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3775814 OBDepict N N N N N N N O H IC50 = 7.0 nM 425.5 N#Cc1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4449500 OBDepict O N H N N N N N Ki = 7.0 nM 426.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CCc6ccccc65)CC4)cn3)nccc12 Homo sapiens CHEMBL4353731 single protein format
CHEMBL4224779 OBDepict HO O N N N O IC50 = 8.0 nM 335.36 O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL3775545 OBDepict H 3 C O N N N N N N O H IC50 = 10.0 nM 430.51 COc1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3774665 OBDepict O N H N N N N N S O O CH 3 IC50 = 10.0 nM 478.58 CS(=O)(=O)c1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775121 OBDepict F F N N N N N N O H IC50 = 11.0 nM 436.47 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(F)cc5F)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3774692 OBDepict NH 2 S N N O OH IC50 = 12.0 nM 221.24 Nc1nc(-c2cc(C(=O)O)ccn2)cs1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4592908 OBDepict O N H N N N N N N IC50 = 12.0 nM 483.62 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(CN6CCCC6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4440395 OBDepict O N H N N N N N N O IC50 = 12.0 nM 513.65 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(CCN6CCOCC6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4585876 OBDepict H 3 C N H 3 C N N N N N N O H IC50 = 12.0 nM 471.61 CN(C)CCc1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3775899 OBDepict Cl N N N N N N O H IC50 = 14.0 nM 448.96 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(Cl)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4573390 OBDepict Cl H 3 C N N N N N N O H IC50 = 14.0 nM 448.96 CC1(c2cccc(Cl)c2)CCN(CCc2cnn(-c3nccc4c(=O)[nH]cnc34)c2)CC1 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3775894 OBDepict Cl Cl N N N N N N O H IC50 = 14.0 nM 469.38 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(Cl)cc(Cl)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775516 OBDepict O N H N N N N N F F F IC50 = 15.0 nM 482.51 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(C(F)(F)F)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775277 OBDepict O N H N N N N N N IC50 = 15.0 nM 401.47 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccncc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3774940 OBDepict Cl Cl N N N N N N O H IC50 = 15.0 nM 483.4 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(Cl)c(Cl)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775451 OBDepict O N H N N N N N O O IC50 = 16.0 nM 458.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc6c(c5)OCO6)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4525269 OBDepict O N H N N N N N Ki = 16.0 nM 364.45 O=c1[nH]cnc2c(-n3cc(C4CCN(CC5CCC5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353731 single protein format
CHEMBL4567766 OBDepict O N H N N N N N N IC50 = 17.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(-c6cccnc6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4516101 OBDepict H N N O N N N N N F F F IC50 = 17.0 nM 551.62 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(CN6CCCC6)cc(C(F)(F)F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3775040 OBDepict F N N N N N N O H IC50 = 17.0 nM 432.5 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccc(F)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775548 OBDepict O N H N N N N N F F F IC50 = 18.0 nM 468.48 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(C(F)(F)F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775953 OBDepict F N N N N N N O H IC50 = 18.0 nM 418.48 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(F)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4078388 OBDepict CH 3 N O HN N CH 3 CH 3 N O NH 2 IC50 = 19.0 nM 307.4 CCN(CCN(C)C)C(=O)CNCc1cc(C(N)=O)ccn1 Homo sapiens CHEMBL4613338 single protein format
CHEMBL4637168 OBDepict CH 3 O O OH O N H N IC50 = 20.0 nM 234.21 CCOC(=O)c1c(O)c2ccncc2[nH]c1=O Homo sapiens CHEMBL4613338 single protein format
CHEMBL4558689 OBDepict O N H N N N N N N N IC50 = 21.0 nM 478.56 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(-c6cncnc6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3774392 OBDepict O N H N N N N N IC50 = 21.0 nM 414.51 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5ccccc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4228781 OBDepict F O N N N O HO IC50 = 22.0 nM 313.29 O=C(O)c1ccnc(-n2nccc2OCc2cccc(F)c2)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL3774537 OBDepict Cl N N N N N N O H IC50 = 23.0 nM 434.93 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(Cl)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4538741 OBDepict CH 3 O N N N N N N O H IC50 = 23.0 nM 430.51 COc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4225915 OBDepict H 3 C N O N N O OH F IC50 = 24.0 nM 341.34 CCc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4782583 OBDepict CH 3 O N N N H O N H 3 C H 3 C O IC50 = 24.4 nM 434.54 COc1ccc(-n2cc(C(=O)NCC(C)(C)N3CCOCC3)c(-c3ccccc3)n2)cc1 Homo sapiens CHEMBL4685865 cell-based format
CHEMBL4520178 OBDepict O N H N N N N N CH 3 H 3 C CH 3 IC50 = 25.0 nM 456.59 CC(C)(C)c1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3775668 OBDepict O N H N N N N N S IC50 = 26.0 nM 406.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccs5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4466130 OBDepict O N H N N N N N N O IC50 = 26.0 nM 513.65 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(CCN6CCOCC6)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3775956 OBDepict O N H N N N N N N IC50 = 26.0 nM 415.5 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5cccnc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775465 OBDepict H 3 C O N N N N N N O H IC50 = 28.0 nM 444.54 COc1cccc(CC2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4447515 OBDepict F N N N N N N O H IC50 = 29.0 nM 418.48 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3775977 OBDepict Cl N N N N N N O H IC50 = 30.0 nM 434.93 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(Cl)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4553540 OBDepict H N N O N N N N F F F N O IC50 = 32.0 nM 581.64 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(CCN6CCOCC6)cc(C(F)(F)F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4449500 OBDepict O N H N N N N N IC50 = 38.0 nM 426.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CCc6ccccc65)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3775362 OBDepict _ O O N N H O + Li IC50 = 40.0 nM 238.17 O=C([O-])c1ccnc(CNCc2ccco2)c1.[Li+] Homo sapiens CHEMBL3778807 single protein format
CHEMBL4225839 OBDepict F O CH 3 N N N O OH IC50 = 41.0 nM 327.31 CC(Oc1ccnn1-c1cc(C(=O)O)ccn1)c1ccc(F)cc1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4590283 OBDepict O N H N N N N N N IC50 = 41.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6ccncc6)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4227508 OBDepict F O N N N O HO IC50 = 42.0 nM 313.29 O=C(O)c1ccnc(-n2nccc2OCc2ccccc2F)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4561958 OBDepict O N H N N N N N N IC50 = 42.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(-c6ccccn6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3774747 OBDepict H 3 C N N N F N N N O H IC50 = 42.0 nM 378.41 CN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(F)cc1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3774456 OBDepict F F N N N N N N O H IC50 = 43.0 nM 436.47 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cc(F)cc(F)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775130 OBDepict O N H N N N N N N N O IC50 = 43.0 nM 446.52 O=c1[nH]cnc2c(-n3cc(CCN4CCC(Cc5noc(C6CC6)n5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3774922 OBDepict N N H 3 C N N N N N O H IC50 = 48.0 nM 399.46 CN(CCCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(C#N)cc1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775135 OBDepict N N H 3 C N N N N N O H IC50 = 48.0 nM 385.43 CN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(C#N)cc1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3775145 OBDepict H 3 C N Cl N N Cl N N N O H IC50 = 48.0 nM 429.31 CN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4549505 OBDepict O N H N N N N N N O IC50 = 48.0 nM 499.62 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5cccc(CN6CCOCC6)c5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4476629 OBDepict CH 3 H 3 C N N N N N N O H IC50 = 51.0 nM 442.57 CC(C)c1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4536443 OBDepict CH 3 N CH 3 N H CH 3 CH 3 O N N N IC50 = 51.1 nM 405.55 CCCCCCN(C)Cc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1 Homo sapiens CHEMBL4424784 cell-based format
CHEMBL4225810 OBDepict F O N CH 3 N N O OH IC50 = 54.0 nM 327.31 Cc1cnn(-c2cc(C(=O)O)ccn2)c1OCc1ccc(F)cc1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL3775823 OBDepict Cl N N N N N N O H IC50 = 56.0 nM 434.93 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccccc5Cl)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4088737 OBDepict O NH H N O N H N CH 3 CH 3 IC50 = 56.0 nM 290.37 CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)C3CC3)C2)[nH]n1 Homo sapiens CHEMBL4035859 cell-based format
CHEMBL3774457 OBDepict O N H N N N N N IC50 = 58.0 nM 400.49 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccccc5)CC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4473678 OBDepict CH 3 H 3 C O N N N N N N O H IC50 = 66.0 nM 472.59 CC(C)COc1cccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)c1 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4529932 OBDepict O N H N N N N N IC50 = 68.0 nM 364.45 O=c1[nH]cnc2c(-n3cc(C4CCN(C5CCCC5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL3786579 OBDepict OH N O N N O HO F IC50 = 68.0 nM 357.34 O=C(O)c1ccnc(-n2ncc(CCO)c2OCc2ccc(F)cc2)c1 Homo sapiens CHEMBL4223291 single protein format
CHEMBL4560583 OBDepict N OH O N H N IC50 = 70.0 nM 187.16 N#Cc1c(O)c2ccncc2[nH]c1=O Homo sapiens CHEMBL4432254 single protein format
CHEMBL3774710 OBDepict O N H N N N N N IC50 = 71.0 nM 310.36 O=c1[nH]cnc2c(-n3cc(CCN4CCCC4)cn3)nccc12 Homo sapiens CHEMBL3778807 single protein format
CHEMBL3774701 OBDepict CH 3 N N N S O O H 3 C N N N O H IC50 = 72.0 nM 438.51 CN(CCc1cnn(-c2nccc3c(=O)[nH]cnc23)c1)Cc1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4759769 OBDepict CH 3 N N N O N N IC50 = 73.0 nM 443.6 Cc1ccc(-n2cc(C(=O)N3CCN(CCN4CCCC4)CC3)c(-c3ccccc3)n2)cc1 Homo sapiens CHEMBL4685865 cell-based format
CHEMBL4228321 OBDepict OH O N N N OH CH 3 IC50 = 76.0 nM 295.3 Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O Homo sapiens CHEMBL4223291 single protein format
CHEMBL4559561 OBDepict O N H N N N N N N IC50 = 80.0 nM 477.57 O=c1[nH]cnc2c(-n3cc(CCN4CCC(c5ccc(-c6cccnc6)cc5)CC4)cn3)nccc12 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4522584 OBDepict O N N N N N N N O H IC50 = 81.0 nM 483.58 O=C1CCCN1c1ccc(C2CCN(CCc3cnn(-c4nccc5c(=O)[nH]cnc45)c3)CC2)cc1 Homo sapiens CHEMBL4353690 single protein format
CHEMBL4759858 OBDepict CH 3 O N N N H O N H 3 C H 3 C O IC50 = 93.2 nM 434.54 COc1ccccc1-n1cc(C(=O)NCC(C)(C)N2CCOCC2)c(-c2ccccc2)n1 Homo sapiens CHEMBL4685865 cell-based format
CHEMBL3775933 OBDepict HO O N N S IC50 = 98.0 nM 206.23 O=C(O)c1ccnc(-c2cscn2)c1 Homo sapiens CHEMBL3778807 single protein format
CHEMBL4291852 OBDepict CH 3 N N N N N N H F F F IC50 <= 100.0 nM 438.46 Cc1ccc2c(c1)C(Cn1cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c1)CCC2 Homo sapiens CHEMBL4257002 cell-based format
CHEMBL4287778 OBDepict F N N N N N N H F F F IC50 <= 100.0 nM 442.42 Fc1ccc2c(c1)C(Cn1cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c1)CCC2 Homo sapiens CHEMBL4257002 cell-based format
CHEMBL4286728 OBDepict F N N N N N N H F F F IC50 <= 100.0 nM 442.42 Fc1ccc2c(c1)CCCC2Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 Homo sapiens CHEMBL4257002 cell-based format
CHEMBL4282684 OBDepict H N N N F F F N N N O IC50 <= 100.0 nM 426.4 FC(F)(F)c1[nH]nnc1-c1ccnc(-c2cn(CC3CCOc4ccccc43)cn2)c1 Homo sapiens CHEMBL4257002 cell-based format
CHEMBL4294732 OBDepict F F N N N N N N H F F F IC50 <= 100.0 nM 420.35 Fc1cccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c1F Homo sapiens CHEMBL4257002 cell-based format
CHEMBL4282314 OBDepict F N H 3 C N N N N N H F F F IC50 <= 100.0 nM 388.33 Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1-c1ccc(F)cc1 Homo sapiens CHEMBL4257002 cell-based format