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Q8WUI4 | HDAC7_HUMAN | Histone deacetylase 7 (HDAC7)

3D structures mapped by conservation among orthologs

[ Domain: "Arginase/deacetylase" // Hist_deacetyl ]

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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
CHEMBL483254 OBDepict OH NH O N H CH 3 N H Ki = 2.3 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL1832526 single protein format
CHEMBL484073 OBDepict OH N H O HN O N IC50 = 3.0 nM 327.38 O=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO Homo sapiens CHEMBL960370 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 IC50 = 4.04 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL4376741 cell-based format
CHEMBL490018 OBDepict OH N H O HN O CH 3 IC50 = 4.4 nM 316.4 CC(/C=C/c1ccccc1)=CC(=O)NCCCCCC(=O)NO Homo sapiens CHEMBL960370 single protein format
CHEMBL113537 OBDepict O N H O F F F Ki = 4.7 nM 301.31 O=C(CCCCCCC(=O)C(F)(F)F)Nc1ccccc1 Homo sapiens CHEMBL3802969 single protein format
CHEMBL356066 OBDepict OH N N H NH O HO IC50 = 6.11 nM 379.46 O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Homo sapiens CHEMBL1634306 single protein format
CHEMBL484489 OBDepict OH N H O HN O F Cl IC50 = 6.3 nM 328.77 O=C(/C=C/c1ccc(Cl)cc1F)NCCCCCC(=O)NO Homo sapiens CHEMBL960370 single protein format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H IC50 = 8.2 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL4339273 single protein format
CHEMBL2170177 OBDepict HO NH O N O CH 3 IC50 = 10.0 nM 296.33 COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1 Homo sapiens CHEMBL4035242 single protein format
CHEMBL3110001 OBDepict OH N H O H H H N N IC50 = 10.0 nM 305.34 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc2nccnc2c1 Homo sapiens CHEMBL3112172 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 CHEMBL4689589 single protein format
CHEMBL4748500 OBDepict HO N H O N O O IC50 = 12.0 nM 372.38 O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL1830536 OBDepict H 3 C N H N N CH 3 N H O OH Ki = 12.0 nM 356.47 CC/C=CCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832526 single protein format
CHEMBL4761013 OBDepict OH N H O N S O O O IC50 = 12.0 nM 408.44 O=C(NO)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL4879105 OBDepict O N H N N N O F F F IC50 = 16.0 nM 416.4 O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4813407 cell-based format
CHEMBL4798111 OBDepict O N H H 3 C H N N N H H 3 C O F F F IC50 = 20.0 nM 382.39 C[C@H]1CCCN1C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689589 single protein format
CHEMBL3109980 OBDepict HO HN O H H H Cl O O IC50 = 20.0 nM 345.78 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cc(Cl)c2c(c1)OCCO2 Homo sapiens CHEMBL3112172 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 IC50 = 22.0 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL960037 single protein format
CHEMBL4437833 OBDepict OH HN O F N N CH 3 IC50 = 23.0 nM 337.35 Cc1ncc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)cn1 Homo sapiens CHEMBL4310910 cell-based format
CHEMBL4799406 OBDepict HO N H O N O O F IC50 = 24.0 nM 390.37 O=C(NO)c1ccc(CN2C(=O)c3cccc(F)c3C2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL4751615 OBDepict O N H H 3 C H 3 C N O N N O F F F IC50 = 27.0 nM 456.42 CC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL1631914 OBDepict HO N H O H O O HN O O H 3 C IC50 = 27.8 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634306 single protein format
CHEMBL3793392 OBDepict HO N H O F H H N N F IC50 = 30.0 nM 367.36 O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1 Homo sapiens CHEMBL3796510 single protein format
CHEMBL3110021 OBDepict HO N H O H H H O N IC50 = 30.0 nM 320.35 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnco2)cc1 Homo sapiens CHEMBL3112172 single protein format
CHEMBL4080014 OBDepict OH N H O F N CH 3 N IC50 = 30.0 nM 299.31 Cc1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1F Homo sapiens CHEMBL4035207 single protein format
CHEMBL4776127 OBDepict OH N H O N O IC50 = 31.0 nM 358.4 O=C(NO)c1ccc(CN2Cc3ccccc3C2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL4456445 OBDepict OH NH O F N N F F F IC50 = 31.0 nM 391.32 O=C(NO)C(c1ccc(-c2ncc(C(F)(F)F)cn2)cc1)c1ccccc1F Homo sapiens CHEMBL4310910 cell-based format
CHEMBL1830420 OBDepict CH 3 N N N H CH 3 N H O HO Ki = 35.0 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832526 single protein format
CHEMBL3110004 OBDepict O N H N N S N O O F F F Ki = 36.0 nM 514.53 O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 Homo sapiens CHEMBL4771527 single protein format
CHEMBL4525406 OBDepict CH 3 N N H S N O N N O F F F Ki = 39.0 nM 527.57 CN1CCC(CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)(c2nc(-c3ccccc3)cs2)CC1 Homo sapiens CHEMBL4368737 single protein format
CHEMBL3110004 OBDepict O N H N N S N O O F F F IC50 = 40.0 nM 514.53 O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 Homo sapiens CHEMBL3112172 single protein format
CHEMBL1830422 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 41.0 nM 372.51 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832526 single protein format
CHEMBL1830537 OBDepict H 3 C N N N H CH 3 H 3 C N H O HO Ki = 42.0 nM 358.49 CCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832526 single protein format
CHEMBL609583 OBDepict OH N H O N N N N S O O IC50 = 46.0 nM 413.46 O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 Homo sapiens CHEMBL1068533 single protein format
CHEMBL4762512 OBDepict OH N H O N O O IC50 = 49.0 nM 296.28 O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL583490 OBDepict OH NH O O IC50 = 50.0 nM 241.25 O=C(NO)C1c2ccccc2Oc2ccccc21 Homo sapiens CHEMBL1050116 assay format
CHEMBL4874942 OBDepict CH 3 O N H O NH 2 O O H 3 C O H 3 C CH 3 IC50 = 50.0 nM 460.53 COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1/C=C/C(=O)Nc1ccccc1N Homo sapiens CHEMBL4830770 single protein format
CHEMBL3109983 OBDepict HO N H O H H H N O F F F IC50 = 60.0 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 CHEMBL3112172 single protein format
CHEMBL4581057 OBDepict CH 3 N H H N N N O N N N H NH N N NH O HO IC50 = 60.0 nM 563.58 CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(CNc3ncc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL4405133 cell-based format
CHEMBL1631917 OBDepict HO N H O H O O HN O O H 3 C IC50 = 61.2 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634306 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 Ki = 66.6 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL3598918 single protein format
CHEMBL518821 OBDepict O F F F S O N N O N O N IC50 = 70.0 nM 422.34 O=C(c1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)no2)s1)C(F)(F)F Homo sapiens CHEMBL3112172 single protein format
CHEMBL3110003 OBDepict HO N H O IC50 = 70.0 nM 225.25 O=C(NO)C1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL3112172 single protein format
CHEMBL1830424 OBDepict CH 3 N N N H 3 C CH 3 N H O HO Ki = 70.0 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(C)C Homo sapiens CHEMBL1832526 single protein format
CHEMBL1631913 OBDepict OH HN O O O HN O O CH 3 IC50 = 72.6 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634306 single protein format
CHEMBL408513 OBDepict OH N H O S NH O O Ki = 75.0 nM 318.35 O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Homo sapiens CHEMBL1216988 single protein format
CHEMBL4776962 OBDepict HO NH O N O O IC50 = 76.0 nM 324.34 O=C(NO)c1ccc(CN2C(=O)CCC2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL1830396 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 77.0 nM 344.46 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832526 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 = 89.0 nM 386.54 CN(C)CC(C)(C)Cn1c(CC(C)(C)C)nc2cc(/C=C/C(=O)NO)ccc21 Homo sapiens CHEMBL1832526 single protein format
CHEMBL4577299 OBDepict OH N H O N S O O IC50 = 100.0 nM 370.43 O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CS(=O)(=O)CC3)cc1 Homo sapiens CHEMBL4422772 single protein format
CHEMBL4069287 OBDepict OH HN O N S O O IC50 = 100.0 nM 356.4 O=C(NO)c1ccc(Cn2c3c(c4ccccc42)S(=O)(=O)CC3)cc1 Homo sapiens CHEMBL4035207 single protein format
CHEMBL4445312 OBDepict HO NH O N S O O IC50 = 100.0 nM 358.42 O=C(NO)c1ccc(CN2c3ccccc3C3C2CCS3(=O)=O)cc1 Homo sapiens CHEMBL4422772 single protein format
CHEMBL4531108 OBDepict OH N H O N S F O O IC50 = 100.0 nM 388.42 O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)CS(=O)(=O)CC3)cc1 Homo sapiens CHEMBL4422772 single protein format
CHEMBL594544 OBDepict HO N N N N F NH O OH IC50 = 102.0 nM 387.42 O=C(NO)c1cnc(N2CCN(C(/C=C/c3ccc(F)cc3)CO)CC2)nc1 Homo sapiens CHEMBL1068533 single protein format
CHEMBL98 OBDepict OH NH O N H O IC50 = 102.4 nM 264.32 O=C(CCCCCCC(=O)Nc1ccccc1)NO Homo sapiens CHEMBL960370 single protein format
CHEMBL3215861 OBDepict CH 3 N N N CH 3 CH 3 N H O HO ClH ClH Ki = 104.0 nM 431.41 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC.Cl.Cl Homo sapiens CHEMBL1832526 single protein format
CHEMBL4443548 OBDepict OH NH O N N H N O N N H H CH 3 N N N N H IC50 = 104.0 nM 562.59 CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL4405133 cell-based format
CHEMBL1851943 OBDepict H 3 C N N N H 3 C H 3 C N H O OH Ki = 107.0 nM 358.49 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC Homo sapiens CHEMBL3598918 single protein format
CHEMBL4846435 OBDepict OH N H O N O NH 2 IC50 = 109.0 nM 325.37 NC(=O)c1ccc2c(c1)CCCN2Cc1ccc(C(=O)NO)cc1 Homo sapiens CHEMBL4823901 single protein format
CHEMBL583967 OBDepict OH NH O O O IC50 = 110.0 nM 311.34 O=C(NO)C(c1ccc2c(c1)CCO2)c1ccc2c(c1)CCO2 Homo sapiens CHEMBL1050116 assay format
CHEMBL3110015 OBDepict HO N H O H H H N N F IC50 = 110.0 nM 349.37 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1 Homo sapiens CHEMBL3112172 single protein format
CHEMBL3109993 OBDepict OH N H O H H H N IC50 = 120.0 nM 294.35 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccnc(C2CC2)c1 Homo sapiens CHEMBL3112172 single protein format
CHEMBL98 OBDepict OH NH O N H O Ki = 129.0 nM 264.32 O=C(CCCCCCC(=O)Nc1ccccc1)NO Homo sapiens CHEMBL1832526 single protein format
CHEMBL4752663 OBDepict HO NH O NH O F IC50 = 140.0 nM 364.38 O=C(NCc1ccc(C(=O)NO)c(-c2ccccc2)c1)c1ccccc1F Homo sapiens CHEMBL4737686 single protein format
CHEMBL4747488 OBDepict O N H N N N O F F F IC50 = 140.0 nM 354.33 O=C(NCCN1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689589 single protein format
CHEMBL3675758 OBDepict HO N H O N N N IC50 = 157.0 nM 364.45 O=C(CCCCCCN(c1ccccn1)c1ccc2ccccc2n1)NO Homo sapiens CHEMBL3708018 single protein format
CHEMBL4862510 OBDepict OH N H O N S O NH 2 IC50 = 160.0 nM 391.45 NC(=O)c1ccc2c(c1)N(Cc1ccc(C(=O)NO)cc1)c1ccccc1S2 Homo sapiens CHEMBL4821488 cell-based format
CHEMBL3670669 OBDepict H 3 C O N NH O H NH O N IC50 = 178.0 nM 502.57 COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)NCc2ccc(C(=O)Nc3ccccn3)cc2)cc1 Homo sapiens CHEMBL3707527 single protein format
CHEMBL1631915 OBDepict HO N H O H O O HN O O H 3 C IC50 = 180.0 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634306 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 Ki = 195.0 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL1216988 single protein format
CHEMBL4537561 OBDepict HO N H O N S F IC50 = 200.0 nM 356.42 O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)CSCC3)cc1 Homo sapiens CHEMBL4422772 single protein format
CHEMBL4283105 OBDepict HO N H O N + S F _ O IC50 = 200.0 nM 372.42 O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)C[S+]([O-])CC3)cc1 Homo sapiens CHEMBL4422772 single protein format
CHEMBL4642874 OBDepict OH N H O N H O O IC50 = 210.0 nM 390.44 O=C(NO)c1ccc(NC(=O)C2(c3ccc4ccccc4c3)CCOCC2)cc1 Homo sapiens CHEMBL4606154 single protein format
CHEMBL561604 OBDepict OH HN O N N H H + N + N O _ O O _ O IC50 = 220.0 nM 465.47 O=C(CCCCCC(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]c2ccc([N+](=O)[O-])cc12)NO Homo sapiens CHEMBL1053561 single protein format
CHEMBL3110016 OBDepict HO N H O H H H N N F IC50 = 220.0 nM 349.37 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cccc(-c2ncc(F)cn2)c1 Homo sapiens CHEMBL3112172 single protein format
CHEMBL595227 OBDepict NH S N N IC50 = 220.0 nM 217.3 N=C1Sc2ccccc2C2=NCCCN12 Homo sapiens CHEMBL4771464 single protein format
CHEMBL4784844 OBDepict HO N H O N O O N IC50 = 220.0 nM 373.37 O=C(NO)c1ccc(CN2C(=O)c3cccnc3C2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL4516095 OBDepict OH HN O N H N O N N H H H 3 C N N N N H IC50 = 229.0 nM 561.61 CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(C(=O)NO)cc3)c2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL4405133 cell-based format
CHEMBL1213492 OBDepict CH 3 N H 3 C O N H O N H O HO Ki = 240.0 nM 421.5 CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1 Homo sapiens CHEMBL1216988 single protein format
CHEMBL575482 OBDepict OH NH O IC50 = 260.0 nM 239.27 O=C(NO)C1c2ccccc2Cc2ccccc21 Homo sapiens CHEMBL1050116 assay format
CHEMBL4634521 OBDepict HO N H O N H O O Br IC50 = 270.0 nM 419.27 O=C(NO)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1 Homo sapiens CHEMBL4606154 single protein format
CHEMBL1631918 OBDepict HO N H O H O O HN O O H 3 C IC50 = 271.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634306 single protein format
CHEMBL1631916 OBDepict OH HN O O O HN O O CH 3 IC50 = 279.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634306 single protein format
CHEMBL4087897 OBDepict H 3 C O N H N H O O N H O OH IC50 = 290.0 nM 431.45 COc1ccc(-c2cc(-c3ccoc3)c(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]2)cc1 Homo sapiens CHEMBL4035232 assay format
CHEMBL3670674 OBDepict HO N NH O H S N H O NH 2 IC50 = 290.0 nM 508.6 Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2[nH]c(-c3ccsc3)cc2-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL3707527 single protein format
CHEMBL4852441 OBDepict OH NH O N S N H O N IC50 = 300.0 nM 468.54 O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(=O)Nc4ccccn4)cc32)cc1 Homo sapiens CHEMBL4821488 cell-based format
CHEMBL3335303 OBDepict HO NH O N N O CH 3 IC50 = 311.0 nM 303.36 COc1cccc(Cn2ccc(CCCCC(=O)NO)n2)c1 Homo sapiens CHEMBL3388844 single protein format
CHEMBL2414098 OBDepict HO NH O N N H Br IC50 = 313.0 nM 340.22 O=C(CCCCCCc1nc2ccc(Br)cc2[nH]1)NO Homo sapiens CHEMBL2417300 single protein format
CHEMBL314389 OBDepict OH HN O HN S O O Ki = 324.7 nM 342.38 O=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO Homo sapiens CHEMBL3598918 single protein format
CHEMBL572545 OBDepict OH NH O N CH 3 IC50 = 350.0 nM 254.29 CN1c2ccccc2C(C(=O)NO)c2ccccc21 Homo sapiens CHEMBL1050116 assay format
CHEMBL2103863 OBDepict HO N H O O N H O O N CH 3 CH 3 IC50 = 350.0 nM 397.43 CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12 Homo sapiens CHEMBL4771396 cell-based format
CHEMBL3335295 OBDepict HO NH O N N F IC50 = 355.0 nM 291.33 O=C(CCCCc1ccn(Cc2ccc(F)cc2)n1)NO Homo sapiens CHEMBL3388844 single protein format
CHEMBL4759268 OBDepict OH HN O H N O O IC50 = 360.0 nM 352.39 O=C(NO)[C@@H](CCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 Homo sapiens CHEMBL4737686 single protein format
CHEMBL3335306 OBDepict HO NH O N N O O IC50 = 360.0 nM 317.35 O=C(CCCCc1ccn(Cc2ccc3c(c2)OCO3)n1)NO Homo sapiens CHEMBL3388844 single protein format
CHEMBL4874716 OBDepict OH HN O N S N H O N Br IC50 = 370.0 nM 547.43 O=C(NO)c1ccc(CN2c3ccccc3Sc3ccc(C(=O)Nc4ccc(Br)cn4)cc32)cc1 Homo sapiens CHEMBL4821488 cell-based format
CHEMBL598797 OBDepict OH HN O O O CH 3 N N H N CH IC50 = 373.0 nM 434.5 C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1 Homo sapiens CHEMBL1065587 assay format
CHEMBL2018302 OBDepict OH HN O N N CH 3 IC50 = 379.0 nM 335.41 CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 Homo sapiens CHEMBL2340957 single protein format
CHEMBL396097 OBDepict OH HN O IC50 = 390.0 nM 227.26 O=C(NO)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1050116 assay format
CHEMBL4517151 OBDepict HO NH O N N N H 3 C O N N N CH 3 IC50 = 392.0 nM 437.5 Cc1ccc(CN2CCC(c3noc(CN(C)c4ncc(C(=O)NO)cn4)n3)CC2)cc1 Homo sapiens CHEMBL4364746 cell-based format
CHEMBL561483 OBDepict OH N H O N N H H O O CH 3 H 3 C IC50 = 420.0 nM 435.52 COc1cccc2c(C(CCCCCC(=O)NO)c3c[nH]c4c(OC)cccc34)c[nH]c12 Homo sapiens CHEMBL1053561 single protein format