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Q9UKV0 | HDAC9_HUMAN | Histone deacetylase 9 (HDAC9)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL27759 OBDepict O O N H N HN O NH 2 IC50 = 0.5 nM 376.42 Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Homo sapiens CHEMBL4771418 single protein format
CHEMBL2414098 OBDepict HO NH O N N H Br IC50 = 1.1 nM 340.22 O=C(CCCCCCc1nc2ccc(Br)cc2[nH]1)NO Homo sapiens CHEMBL2417249 single protein format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H Ki = 1.2 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL1832528 single protein format
CHEMBL485514 OBDepict HO N H O NH O IC50 = 2.3 nM 350.42 O=C(C=C1c2ccccc2-c2ccccc21)NCCCCCC(=O)NO Homo sapiens CHEMBL960372 single protein format
CHEMBL484073 OBDepict OH N H O HN O N IC50 = 2.8 nM 327.38 O=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO Homo sapiens CHEMBL960372 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 Ki = 3.8 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL3598919 single protein format
CHEMBL484489 OBDepict OH N H O HN O F Cl IC50 = 3.9 nM 328.77 O=C(/C=C/c1ccc(Cl)cc1F)NCCCCCC(=O)NO Homo sapiens CHEMBL960372 single protein format
CHEMBL490018 OBDepict OH N H O HN O CH 3 IC50 = 4.2 nM 316.4 CC(/C=C/c1ccccc1)=CC(=O)NCCCCCC(=O)NO Homo sapiens CHEMBL960372 single protein format
CHEMBL1830537 OBDepict H 3 C N N N H CH 3 H 3 C N H O HO Ki = 4.4 nM 358.49 CCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832528 single protein format
CHEMBL3309297 OBDepict HO HN O H H N H O NH H 3 C H 3 C O IC50 = 5.2 nM 399.49 CC1(C)CC(=O)Nc2ccc(C(=O)NC[C@H]3CC[C@H](/C=C/C(=O)NO)CC3)cc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL1830536 OBDepict H 3 C N H N N CH 3 N H O OH Ki = 5.7 nM 356.47 CC/C=CCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832528 single protein format
CHEMBL1083086 OBDepict OH N H O HN HN O O Br Ki = 6.0 nM 372.22 O=C(CCCCCNC(=O)NC(=O)c1ccc(Br)cc1)NO Homo sapiens CHEMBL1119901 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 IC50 = 6.7 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL4376742 cell-based format
CHEMBL4525406 OBDepict CH 3 N N H S N O N N O F F F Ki = 8.0 nM 527.57 CN1CCC(CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)(c2nc(-c3ccccc3)cs2)CC1 Homo sapiens CHEMBL4368738 single protein format
CHEMBL356066 OBDepict OH N N H NH O HO IC50 = 8.24 nM 379.46 O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Homo sapiens CHEMBL1634307 single protein format
CHEMBL3692671 OBDepict CH 3 N N H H 3 C H CH 3 O N N O F F F IC50 = 10.0 nM 398.43 CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689590 single protein format
CHEMBL1830424 OBDepict CH 3 N N N H 3 C CH 3 N H O HO Ki = 11.0 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(C)C Homo sapiens CHEMBL1832528 single protein format
CHEMBL1830397 OBDepict OH HN O N N H 3 C H 3 C N CH 3 H 3 C CH 3 CH 3 H 3 C Ki = 11.0 nM 386.54 CN(C)CC(C)(C)Cn1c(CC(C)(C)C)nc2cc(/C=C/C(=O)NO)ccc21 Homo sapiens CHEMBL1832528 single protein format
CHEMBL1830420 OBDepict CH 3 N N N H CH 3 N H O HO Ki = 14.0 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832528 single protein format
CHEMBL4751615 OBDepict O N H H 3 C H 3 C N O N N O F F F IC50 = 16.0 nM 456.42 CC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1 Homo sapiens CHEMBL4737694 single protein format
CHEMBL1830422 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 16.0 nM 372.51 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832528 single protein format
CHEMBL3110004 OBDepict O N H N N S N O O F F F Ki = 19.0 nM 514.53 O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 Homo sapiens CHEMBL4771528 single protein format
CHEMBL491316 OBDepict OH HN O N N N Ki = 19.2 nM 404.51 O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCC1)NO Homo sapiens CHEMBL1016001 single protein format
CHEMBL4748500 OBDepict HO N H O N O O IC50 = 20.0 nM 372.38 O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737694 single protein format
CHEMBL518821 OBDepict O F F F S O N N O N O N IC50 = 20.0 nM 422.34 O=C(c1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)no2)s1)C(F)(F)F Homo sapiens CHEMBL3112171 single protein format
CHEMBL3110004 OBDepict O N H N N S N O O F F F IC50 = 20.0 nM 514.53 O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 Homo sapiens CHEMBL3112171 single protein format
CHEMBL460963 OBDepict HO NH O N N H 3 C H 3 C N H 3 C H 3 C Ki = 21.0 nM 420.56 CN(C)CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21 Homo sapiens CHEMBL1832528 single protein format
CHEMBL489332 OBDepict HO NH O N N N Ki = 24.0 nM 418.54 O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCCC1)NO Homo sapiens CHEMBL1832528 single protein format
CHEMBL1851943 OBDepict H 3 C N N N H 3 C H 3 C N H O OH Ki = 24.0 nM 358.49 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC Homo sapiens CHEMBL3598919 single protein format
CHEMBL3215861 OBDepict CH 3 N N N CH 3 CH 3 N H O HO ClH ClH Ki = 24.0 nM 431.41 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC.Cl.Cl Homo sapiens CHEMBL1832528 single protein format
CHEMBL3311465 OBDepict OH NH O N H O N H O IC50 = 25.0 nM 333.39 O=C(CCCCCCC(=O)Nc1ccc2c(c1)CCC(=O)N2)NO Homo sapiens CHEMBL3373902 single protein format
CHEMBL609583 OBDepict OH N H O N N N N S O O IC50 = 28.0 nM 413.46 O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 Homo sapiens CHEMBL1068534 single protein format
CHEMBL1830396 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 30.0 nM 344.46 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832528 single protein format
CHEMBL4798111 OBDepict O N H H 3 C H N N N H H 3 C O F F F IC50 = 30.0 nM 382.39 C[C@H]1CCCN1C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689590 single protein format
CHEMBL3110001 OBDepict OH N H O H H H N N IC50 = 30.0 nM 305.34 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc2nccnc2c1 Homo sapiens CHEMBL3112171 single protein format
CHEMBL4437833 OBDepict OH HN O F N N CH 3 IC50 = 30.0 nM 337.35 Cc1ncc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)cn1 Homo sapiens CHEMBL4310911 cell-based format
CHEMBL3309288 OBDepict HO N H O HN O N O CH 3 IC50 = 34.0 nM 345.4 COc1ccc2cc(C(=O)NCCCCCCC(=O)NO)ccc2n1 Homo sapiens CHEMBL3373902 single protein format
CHEMBL3311472 OBDepict OH HN O NH O N H O IC50 = 35.0 nM 333.39 O=C(CCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO Homo sapiens CHEMBL3373902 single protein format
CHEMBL3309291 OBDepict OH NH O N H O HN CH 3 CH 3 O IC50 = 37.0 nM 393.44 CC1(C)CC(=O)Nc2ccc(C(=O)NCc3ccc(/C=C/C(=O)NO)cc3)cc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL1914702 OBDepict _ N + N N N N H O + N _ N O N N H O N H O OH IC50 = 37.8 nM 546.55 [N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)Nc2ccc(-c3cc(C(=O)NCCCCCCC(=O)NO)no3)cc2)c1 Homo sapiens CHEMBL1921148 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 IC50 = 38.0 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL960039 single protein format
CHEMBL4761013 OBDepict OH N H O N S O O O IC50 = 38.0 nM 408.44 O=C(NO)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737694 single protein format
CHEMBL3311473 OBDepict HO NH O HN O N H H 3 C CH 3 O IC50 = 39.0 nM 361.44 CC1(C)CC(=O)Nc2ccc(C(=O)NCCCCCCC(=O)NO)cc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL3110021 OBDepict HO N H O H H H O N IC50 = 40.0 nM 320.35 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnco2)cc1 Homo sapiens CHEMBL3112171 single protein format
CHEMBL594544 OBDepict HO N N N N F NH O OH IC50 = 40.7 nM 387.42 O=C(NO)c1cnc(N2CCN(C(/C=C/c3ccc(F)cc3)CO)CC2)nc1 Homo sapiens CHEMBL1068534 single protein format
CHEMBL3309284 OBDepict OH N H O NH O N CH 3 O IC50 = 41.0 nM 345.4 Cn1c(=O)ccc2cc(C(=O)NCCCCCCC(=O)NO)ccc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL3288475 OBDepict SH NH O S N H 3 C IC50 = 42.0 nM 334.51 Cc1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1 Homo sapiens CHEMBL3292911 single protein format
CHEMBL3311466 OBDepict OH HN O N H O N H H 3 C CH 3 O IC50 = 45.0 nM 361.44 CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL4799406 OBDepict HO N H O N O O F IC50 = 46.0 nM 390.37 O=C(NO)c1ccc(CN2C(=O)c3cccc(F)c3C2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737694 single protein format
CHEMBL3311471 OBDepict OH HN O NH O N H O IC50 = 46.0 nM 331.37 O=C(CCCCCCNC(=O)c1ccc2[nH]c(=O)ccc2c1)NO Homo sapiens CHEMBL3373902 single protein format
CHEMBL4879105 OBDepict O N H N N N O F F F IC50 = 48.0 nM 416.4 O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4813408 cell-based format
CHEMBL3309300 OBDepict HO N H O H H N H O NH H 3 C H 3 C O IC50 = 50.0 nM 401.51 CC1(C)CC(=O)Nc2ccc(C(=O)NC[C@H]3CC[C@@H](CCC(=O)NO)CC3)cc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL4456445 OBDepict OH NH O F N N F F F IC50 = 50.0 nM 391.32 O=C(NO)C(c1ccc(-c2ncc(C(F)(F)F)cn2)cc1)c1ccccc1F Homo sapiens CHEMBL4310911 cell-based format
CHEMBL3109980 OBDepict HO HN O H H H Cl O O IC50 = 50.0 nM 345.78 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cc(Cl)c2c(c1)OCCO2 Homo sapiens CHEMBL3112171 single protein format
CHEMBL1083439 OBDepict OH N H O HN HN O O Ki = 55.0 nM 293.32 O=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO Homo sapiens CHEMBL1119901 single protein format
CHEMBL3309298 OBDepict HO HN O H H N H O NH H 3 C H 3 C O IC50 = 57.0 nM 401.51 CC1(C)CC(=O)Nc2ccc(C(=O)NC[C@H]3CC[C@H](CCC(=O)NO)CC3)cc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL3288489 OBDepict HS N H O S N F IC50 = 57.0 nM 338.47 O=C(CCCCCCS)Nc1nc(-c2ccc(F)cc2)cs1 Homo sapiens CHEMBL3292911 single protein format
CHEMBL3311464 OBDepict OH HN O N H O N H O IC50 = 58.0 nM 331.37 O=C(CCCCCCC(=O)Nc1ccc2[nH]c(=O)ccc2c1)NO Homo sapiens CHEMBL3373902 single protein format
CHEMBL3670669 OBDepict H 3 C O N NH O H NH O N IC50 = 59.0 nM 502.57 COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)NCc2ccc(C(=O)Nc3ccccn3)cc2)cc1 Homo sapiens CHEMBL3707961 single protein format
CHEMBL3793392 OBDepict HO N H O F H H N N F IC50 = 60.0 nM 367.36 O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1 Homo sapiens CHEMBL3796511 single protein format
CHEMBL1631914 OBDepict HO N H O H O O HN O O H 3 C IC50 = 60.6 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634307 single protein format
CHEMBL3288488 OBDepict SH N H O S N F CH 3 IC50 = 62.0 nM 352.5 Cc1ccc(-c2csc(NC(=O)CCCCCCS)n2)cc1F Homo sapiens CHEMBL3292911 single protein format
CHEMBL98 OBDepict OH NH O N H O Ki = 65.0 nM 264.32 O=C(CCCCCCC(=O)Nc1ccccc1)NO Homo sapiens CHEMBL1119901 single protein format
CHEMBL598797 OBDepict OH HN O O O CH 3 N N H N CH IC50 = 67.2 nM 434.5 C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1 Homo sapiens CHEMBL1065588 assay format
CHEMBL4747488 OBDepict O N H N N N O F F F IC50 = 70.0 nM 354.33 O=C(NCCN1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689590 single protein format
CHEMBL4080014 OBDepict OH N H O F N CH 3 N IC50 = 70.0 nM 299.31 Cc1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1F Homo sapiens CHEMBL4035209 single protein format
CHEMBL3288484 OBDepict HS N H O S N F IC50 = 78.0 nM 338.47 O=C(CCCCCCS)Nc1nc(-c2cccc(F)c2)cs1 Homo sapiens CHEMBL3292911 single protein format
CHEMBL3109983 OBDepict HO N H O H H H N O F F F IC50 = 80.0 nM 390.36 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc2c(c1)CN(CC(F)(F)F)C2=O Homo sapiens CHEMBL3112171 single protein format
CHEMBL419758 OBDepict HS N H O S N IC50 = 82.0 nM 320.48 O=C(CCCCCCS)Nc1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL3292911 single protein format
CHEMBL3675758 OBDepict HO N H O N N N IC50 = 90.0 nM 364.45 O=C(CCCCCCN(c1ccccn1)c1ccc2ccccc2n1)NO Homo sapiens CHEMBL3707491 single protein format
CHEMBL3309299 OBDepict HO N H O H H N H O NH H 3 C H 3 C O IC50 = 91.0 nM 399.49 CC1(C)CC(=O)Nc2ccc(C(=O)NC[C@H]3CC[C@@H](/C=C/C(=O)NO)CC3)cc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL1631913 OBDepict OH HN O O O HN O O CH 3 IC50 = 99.6 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634307 single protein format
CHEMBL98 OBDepict OH NH O N H O IC50 = 107.2 nM 264.32 O=C(CCCCCCC(=O)Nc1ccccc1)NO Homo sapiens CHEMBL960372 single protein format
CHEMBL3309286 OBDepict OH N H O NH O N H 3 C CH 3 CH 3 O IC50 = 120.0 nM 375.47 CN1C(=O)CC(C)(C)c2cc(C(=O)NCCCCCCC(=O)NO)ccc21 Homo sapiens CHEMBL3373902 single protein format
CHEMBL3110003 OBDepict HO N H O IC50 = 120.0 nM 225.25 O=C(NO)C1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL3112171 single protein format
CHEMBL1631917 OBDepict HO N H O H O O HN O O H 3 C IC50 = 123.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634307 single protein format
CHEMBL3675764 OBDepict HO N H O N N N IC50 = 145.0 nM 364.45 O=C(CCCCCCN(c1ccccn1)c1cc2ccccc2cn1)NO Homo sapiens CHEMBL3707491 single protein format
CHEMBL561604 OBDepict OH HN O N N H H + N + N O _ O O _ O IC50 = 150.0 nM 465.47 O=C(CCCCCC(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]c2ccc([N+](=O)[O-])cc12)NO Homo sapiens CHEMBL1053563 single protein format
CHEMBL4087897 OBDepict H 3 C O N H N H O O N H O OH IC50 = 160.0 nM 431.45 COc1ccc(-c2cc(-c3ccoc3)c(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]2)cc1 Homo sapiens CHEMBL4035234 assay format
CHEMBL3670674 OBDepict HO N NH O H S N H O NH 2 IC50 = 163.0 nM 508.6 Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2[nH]c(-c3ccsc3)cc2-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL3707961 single protein format
CHEMBL2103863 OBDepict HO N H O O N H O O N CH 3 CH 3 IC50 = 168.0 nM 397.43 CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12 Homo sapiens CHEMBL4771397 cell-based format
CHEMBL3110015 OBDepict HO N H O H H H N N F IC50 = 190.0 nM 349.37 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1 Homo sapiens CHEMBL3112171 single protein format
CHEMBL4069287 OBDepict OH HN O N S O O IC50 = 200.0 nM 356.4 O=C(NO)c1ccc(Cn2c3c(c4ccccc42)S(=O)(=O)CC3)cc1 Homo sapiens CHEMBL4035209 single protein format
CHEMBL4445312 OBDepict HO NH O N S O O IC50 = 200.0 nM 358.42 O=C(NO)c1ccc(CN2c3ccccc3C3C2CCS3(=O)=O)cc1 Homo sapiens CHEMBL4422774 single protein format
CHEMBL251011 OBDepict OH HN O O N H O O CH 3 IC50 = 247.0 nM 400.48 COc1ccc(COC(CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1 Homo sapiens CHEMBL1634307 single protein format
CHEMBL408513 OBDepict OH N H O S NH O O Ki = 250.0 nM 318.35 O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Homo sapiens CHEMBL1216990 single protein format
CHEMBL3109993 OBDepict OH N H O H H H N IC50 = 260.0 nM 294.35 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccnc(C2CC2)c1 Homo sapiens CHEMBL3112171 single protein format
CHEMBL3670668 OBDepict SH HN O N H O N H O H 3 C IC50 = 277.0 nM 485.61 COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)NCc2ccc(C(=O)NCCS)cc2)cc1 Homo sapiens CHEMBL3707961 single protein format
CHEMBL4577299 OBDepict OH N H O N S O O IC50 = 300.0 nM 370.43 O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CS(=O)(=O)CC3)cc1 Homo sapiens CHEMBL4422774 single protein format
CHEMBL1631915 OBDepict HO N H O H O O HN O O H 3 C IC50 = 302.0 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634307 single protein format
CHEMBL1631918 OBDepict HO N H O H O O HN O O H 3 C IC50 = 322.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634307 single protein format
CHEMBL1631916 OBDepict OH HN O O O HN O O CH 3 IC50 = 336.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634307 single protein format
CHEMBL561483 OBDepict OH N H O N N H H O O CH 3 H 3 C IC50 = 340.0 nM 435.52 COc1cccc2c(C(CCCCCC(=O)NO)c3c[nH]c4c(OC)cccc34)c[nH]c12 Homo sapiens CHEMBL1053563 single protein format
CHEMBL4530950 OBDepict OH N H O N S Cl IC50 = 350.0 nM 382.87 O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc32)cc1 Homo sapiens CHEMBL4821489 cell-based format
CHEMBL4874942 OBDepict CH 3 O N H O NH 2 O O H 3 C O H 3 C CH 3 IC50 = 370.0 nM 460.53 COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1/C=C/C(=O)Nc1ccccc1N Homo sapiens CHEMBL4830772 single protein format
CHEMBL3110016 OBDepict HO N H O H H H N N F IC50 = 370.0 nM 349.37 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cccc(-c2ncc(F)cn2)c1 Homo sapiens CHEMBL3112171 single protein format
CHEMBL1213492 OBDepict CH 3 N H 3 C O N H O N H O HO Ki = 390.0 nM 421.5 CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1 Homo sapiens CHEMBL1216990 single protein format
CHEMBL3675765 OBDepict OH NH O N N N O IC50 = 423.0 nM 420.51 O=C(CCCCCCN(c1ccccn1)c1cc(OCc2ccccc2)ccn1)NO Homo sapiens CHEMBL3707491 single protein format
CHEMBL4517151 OBDepict HO NH O N N N H 3 C O N N N CH 3 IC50 = 441.0 nM 437.5 Cc1ccc(CN2CCC(c3noc(CN(C)c4ncc(C(=O)NO)cn4)n3)CC2)cc1 Homo sapiens CHEMBL4364747 cell-based format
CHEMBL3670675 OBDepict HO N H N H O O HN O NH 2 IC50 = 478.0 nM 492.54 Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2[nH]c(-c3ccc(O)cc3)cc2-c2ccoc2)cc1 Homo sapiens CHEMBL3707961 single protein format