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Q9UQL6 | HDAC5_HUMAN | Histone deacetylase 5 (HDAC5)

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
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 Ki = 2.1 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL3598917 single protein format
CHEMBL2312164 OBDepict OH HN O O NH O CH 3 IC50 = 2.31 nM 280.32 Cc1cccc(C(=O)NOCCCCCC(=O)NO)c1 Homo sapiens CHEMBL2318995 single protein format
CHEMBL2414098 OBDepict HO NH O N N H Br IC50 = 2.5 nM 340.22 O=C(CCCCCCc1nc2ccc(Br)cc2[nH]1)NO Homo sapiens CHEMBL2417301 single protein format
CHEMBL1830536 OBDepict H 3 C N H N N CH 3 N H O OH Ki = 3.1 nM 356.47 CC/C=CCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832524 single protein format
CHEMBL3110021 OBDepict HO N H O H H H O N IC50 = 4.0 nM 320.35 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnco2)cc1 Homo sapiens CHEMBL3112173 single protein format
CHEMBL2312168 OBDepict HO NH O O HN O CH 3 CH 3 IC50 = 4.22 nM 294.35 Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1 Homo sapiens CHEMBL2318995 single protein format
CHEMBL1830537 OBDepict H 3 C N N N H CH 3 H 3 C N H O HO Ki = 5.6 nM 358.49 CCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832524 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 IC50 = 5.95 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL4376740 cell-based format
CHEMBL1830422 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 6.6 nM 372.51 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832524 single protein format
CHEMBL1830420 OBDepict CH 3 N N N H CH 3 N H O HO Ki = 6.8 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832524 single protein format
CHEMBL3110001 OBDepict OH N H O H H H N N IC50 = 7.0 nM 305.34 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc2nccnc2c1 Homo sapiens CHEMBL3112173 single protein format
CHEMBL609583 OBDepict OH N H O N N N N S O O IC50 = 7.1 nM 413.46 O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 Homo sapiens CHEMBL1068532 single protein format
CHEMBL484073 OBDepict OH N H O HN O N IC50 = 7.6 nM 327.38 O=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO Homo sapiens CHEMBL960368 single protein format
CHEMBL4761013 OBDepict OH N H O N S O O O IC50 = 8.0 nM 408.44 O=C(NO)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737691 single protein format
CHEMBL3109983 OBDepict HO N H O H H H N O F F F IC50 = 9.0 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 CHEMBL3112173 single protein format
CHEMBL3109980 OBDepict HO HN O H H H Cl O O IC50 = 9.0 nM 345.78 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cc(Cl)c2c(c1)OCCO2 Homo sapiens CHEMBL3112173 single protein format
CHEMBL1830424 OBDepict CH 3 N N N H 3 C CH 3 N H O HO Ki = 9.2 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(C)C Homo sapiens CHEMBL1832524 single protein format
CHEMBL518821 OBDepict O F F F S O N N O N O N IC50 = 10.0 nM 422.34 O=C(c1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)no2)s1)C(F)(F)F Homo sapiens CHEMBL3112173 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 CHEMBL4689588 single protein format
CHEMBL3793392 OBDepict HO N H O F H H N N F IC50 = 10.0 nM 367.36 O=C(NO)[C@]1(F)[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1 Homo sapiens CHEMBL3796509 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 CHEMBL1832524 single protein format
CHEMBL1830396 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 11.0 nM 344.46 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832524 single protein format
CHEMBL598797 OBDepict OH HN O O O CH 3 N N H N CH IC50 = 11.4 nM 434.5 C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1 Homo sapiens CHEMBL1065585 assay 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 CHEMBL4737691 single protein format
CHEMBL1083086 OBDepict OH N H O HN HN O O Br Ki = 13.0 nM 372.22 O=C(CCCCCNC(=O)NC(=O)c1ccc(Br)cc1)NO Homo sapiens CHEMBL1119898 single protein format
CHEMBL4799406 OBDepict HO N H O N O O F IC50 = 16.0 nM 390.37 O=C(NO)c1ccc(CN2C(=O)c3cccc(F)c3C2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737691 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 IC50 = 16.0 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL960035 single protein format
CHEMBL4437833 OBDepict OH HN O F N N CH 3 IC50 = 16.0 nM 337.35 Cc1ncc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)cn1 Homo sapiens CHEMBL4310908 cell-based format
CHEMBL460963 OBDepict HO NH O N N H 3 C H 3 C N H 3 C H 3 C Ki = 16.0 nM 420.56 CN(C)CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21 Homo sapiens CHEMBL1832524 single protein format
CHEMBL491316 OBDepict OH HN O N N N Ki = 17.2 nM 404.51 O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCC1)NO Homo sapiens CHEMBL1015998 single protein format
CHEMBL489332 OBDepict HO NH O N N N Ki = 18.0 nM 418.54 O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCCC1)NO Homo sapiens CHEMBL1832524 single protein 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 CHEMBL4689588 single protein format
CHEMBL3215861 OBDepict CH 3 N N N CH 3 CH 3 N H O HO ClH ClH Ki = 21.0 nM 431.41 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC.Cl.Cl Homo sapiens CHEMBL1832524 single protein format
CHEMBL1851943 OBDepict H 3 C N N N H 3 C H 3 C N H O OH Ki = 21.0 nM 358.49 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC Homo sapiens CHEMBL3598917 single protein format
CHEMBL594544 OBDepict HO N N N N F NH O OH IC50 = 21.8 nM 387.42 O=C(NO)c1cnc(N2CCN(C(/C=C/c3ccc(F)cc3)CO)CC2)nc1 Homo sapiens CHEMBL1068532 single protein format
CHEMBL3110015 OBDepict HO N H O H H H N N F IC50 = 30.0 nM 349.37 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2ncc(F)cn2)cc1 Homo sapiens CHEMBL3112173 single protein format
CHEMBL3109993 OBDepict OH N H O H H H N IC50 = 30.0 nM 294.35 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccnc(C2CC2)c1 Homo sapiens CHEMBL3112173 single protein format
CHEMBL98 OBDepict OH NH O N H O Ki = 33.0 nM 264.32 O=C(CCCCCCC(=O)Nc1ccccc1)NO Homo sapiens CHEMBL1119898 single protein format
CHEMBL2312167 OBDepict OH HN O O N H O H 3 C CH 3 IC50 = 33.4 nM 294.35 Cc1ccc(C(=O)NOCCCCCC(=O)NO)cc1C Homo sapiens CHEMBL2318995 single protein format
CHEMBL1083439 OBDepict OH N H O HN HN O O Ki = 46.0 nM 293.32 O=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO Homo sapiens CHEMBL1119898 single protein format
CHEMBL2103863 OBDepict HO N H O O N H O O N CH 3 CH 3 IC50 = 48.0 nM 397.43 CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12 Homo sapiens CHEMBL4771395 cell-based format
CHEMBL3110016 OBDepict HO N H O H H H N N F IC50 = 50.0 nM 349.37 O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cccc(-c2ncc(F)cn2)c1 Homo sapiens CHEMBL3112173 single protein format
CHEMBL1631913 OBDepict OH HN O O O HN O O CH 3 IC50 = 55.4 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634305 single protein format
CHEMBL3670669 OBDepict H 3 C O N NH O H NH O N IC50 = 60.0 nM 502.57 COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)NCc2ccc(C(=O)Nc3ccccn3)cc2)cc1 Homo sapiens CHEMBL3707889 single protein format
CHEMBL4456445 OBDepict OH NH O F N N F F F IC50 = 60.0 nM 391.32 O=C(NO)C(c1ccc(-c2ncc(C(F)(F)F)cn2)cc1)c1ccccc1F Homo sapiens CHEMBL4310908 cell-based format
CHEMBL4879105 OBDepict O N H N N N O F F F IC50 = 61.0 nM 416.4 O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4813406 cell-based format
CHEMBL1631914 OBDepict HO N H O H O O HN O O H 3 C IC50 = 62.2 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634305 single protein format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H Ki = 80.0 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL1216986 single protein format
CHEMBL3110004 OBDepict O N H N N S N O O F F F Ki = 80.0 nM 514.53 O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 Homo sapiens CHEMBL4771526 single protein format
CHEMBL3110004 OBDepict O N H N N S N O O F F F IC50 = 80.0 nM 514.53 O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1 Homo sapiens CHEMBL3112173 single protein format
CHEMBL4747488 OBDepict O N H N N N O F F F IC50 = 90.0 nM 354.33 O=C(NCCN1CCCC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689588 single protein format
CHEMBL574594 OBDepict OH HN O F F IC50 = 90.0 nM 263.24 O=C(NO)C(c1cccc(F)c1)c1cccc(F)c1 Homo sapiens CHEMBL1050115 assay format
CHEMBL98 OBDepict OH NH O N H O IC50 = 107.3 nM 264.32 O=C(CCCCCCC(=O)Nc1ccccc1)NO Homo sapiens CHEMBL960368 single protein format
CHEMBL1631917 OBDepict HO N H O H O O HN O O H 3 C IC50 = 109.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634305 single protein format
CHEMBL583490 OBDepict OH NH O O IC50 = 110.0 nM 241.25 O=C(NO)C1c2ccccc2Oc2ccccc21 Homo sapiens CHEMBL1050115 assay 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 CHEMBL1050115 assay format
CHEMBL595227 OBDepict NH S N N IC50 = 110.0 nM 217.3 N=C1Sc2ccccc2C2=NCCCN12 Homo sapiens CHEMBL4771463 single protein format
CHEMBL3675758 OBDepict HO N H O N N N IC50 = 123.0 nM 364.45 O=C(CCCCCCN(c1ccccn1)c1ccc2ccccc2n1)NO Homo sapiens CHEMBL3707602 single protein format
CHEMBL251011 OBDepict OH HN O O N H O O CH 3 IC50 = 134.0 nM 400.48 COc1ccc(COC(CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1 Homo sapiens CHEMBL1634305 single protein format
CHEMBL396097 OBDepict OH HN O IC50 = 140.0 nM 227.26 O=C(NO)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL1050115 assay format
CHEMBL561604 OBDepict OH HN O N N H H + N + N O _ O O _ O IC50 = 140.0 nM 465.47 O=C(CCCCCC(c1c[nH]c2ccc([N+](=O)[O-])cc12)c1c[nH]c2ccc([N+](=O)[O-])cc12)NO Homo sapiens CHEMBL1053559 single protein format
CHEMBL3110003 OBDepict HO N H O IC50 = 150.0 nM 225.25 O=C(NO)C1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL3112173 single protein format
CHEMBL4874942 OBDepict CH 3 O N H O NH 2 O O H 3 C O H 3 C CH 3 IC50 = 150.0 nM 460.53 COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1/C=C/C(=O)Nc1ccccc1N Homo sapiens CHEMBL4830768 single protein format
CHEMBL1631918 OBDepict HO N H O H O O HN O O H 3 C IC50 = 150.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634305 single protein format
CHEMBL3110023 OBDepict HO NH O H H H N N CH 3 IC50 = 150.0 nM 257.29 Cn1cc([C@H]2[C@H](C(=O)NO)[C@@H]2c2ccccc2)cn1 Homo sapiens CHEMBL3112173 single protein format
CHEMBL1631915 OBDepict HO N H O H O O HN O O H 3 C IC50 = 155.0 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634305 single protein format
CHEMBL3670668 OBDepict SH HN O N H O N H O H 3 C IC50 = 172.0 nM 485.61 COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)NCc2ccc(C(=O)NCCS)cc2)cc1 Homo sapiens CHEMBL3707889 single protein format
CHEMBL408513 OBDepict OH N H O S NH O O Ki = 175.0 nM 318.35 O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Homo sapiens CHEMBL1216986 single protein format
CHEMBL1213457 OBDepict OH NH O N H O N OH HO HO Ki = 180.0 nM 357.32 O=C(/C=C/c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)cc1)NO Homo sapiens CHEMBL1216986 single protein format
CHEMBL4525406 OBDepict CH 3 N N H S N O N N O F F F Ki = 182.0 nM 527.57 CN1CCC(CNC(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)(c2nc(-c3ccccc3)cs2)CC1 Homo sapiens CHEMBL4368736 single protein format
CHEMBL356066 OBDepict OH N N H NH O HO IC50 = 190.0 nM 379.46 O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Homo sapiens CHEMBL1050115 assay format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H IC50 = 190.0 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL3778487 single protein format
CHEMBL4080014 OBDepict OH N H O F N CH 3 N IC50 = 200.0 nM 299.31 Cc1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1F Homo sapiens CHEMBL4035205 single protein format
CHEMBL1801250 OBDepict OH N H O N N N H H H HN N F IC50 = 200.0 nM 394.41 O=C(NO)c1cnc(N2C[C@H]3[C@H](NCc4ccc5cc(F)ccc5n4)[C@H]3C2)nc1 Homo sapiens CHEMBL1804722 single protein format
CHEMBL572805 OBDepict OH HN O Cl Cl IC50 = 210.0 nM 296.15 O=C(NO)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Homo sapiens CHEMBL1050115 assay format
CHEMBL4751615 OBDepict O N H H 3 C H 3 C N O N N O F F F IC50 = 216.0 nM 456.42 CC(C)(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1 Homo sapiens CHEMBL4737691 single protein format
CHEMBL4087897 OBDepict H 3 C O N H N H O O N H O OH IC50 = 220.0 nM 431.45 COc1ccc(-c2cc(-c3ccoc3)c(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]2)cc1 Homo sapiens CHEMBL4035230 cell-based format
CHEMBL3670674 OBDepict HO N NH O H S N H O NH 2 IC50 = 222.0 nM 508.6 Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2[nH]c(-c3ccsc3)cc2-c2ccc(O)cc2)cc1 Homo sapiens CHEMBL3707889 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 Ki = 260.0 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL1216986 single protein format
CHEMBL4846435 OBDepict OH N H O N O NH 2 IC50 = 276.0 nM 325.37 NC(=O)c1ccc2c(c1)CCCN2Cc1ccc(C(=O)NO)cc1 Homo sapiens CHEMBL4823900 single protein format
CHEMBL573190 OBDepict OH HN O F F IC50 = 280.0 nM 263.24 O=C(NO)C(c1ccc(F)cc1)c1ccc(F)cc1 Homo sapiens CHEMBL1050115 assay format
CHEMBL96051 OBDepict OH N H O N O O IC50 = 300.0 nM 326.35 O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO Homo sapiens CHEMBL1267841 single protein format
CHEMBL4861149 OBDepict H N N N N N N H N O N H 3 C CH 3 H 3 C F F F IC50 = 306.9 nM 518.5 CC(C)(C)Nc1c(-c2cccc(-c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)c2)nc2cnccn12 Homo sapiens CHEMBL4813406 cell-based format
CHEMBL4862147 OBDepict H N N N N N N H N O H 3 C CH 3 H 3 C F F F IC50 = 310.0 nM 517.52 CC(C)(C)Nc1c(-c2cccc(-c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)c2)nc2ccccn12 Homo sapiens CHEMBL4813406 cell-based format
CHEMBL227118 OBDepict HO N H O NH N H O IC50 = 310.0 nM 323.44 O=C(CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)NO Homo sapiens CHEMBL2424292 single protein format
CHEMBL561483 OBDepict OH N H O N N H H O O CH 3 H 3 C IC50 = 311.0 nM 435.52 COc1cccc2c(C(CCCCCC(=O)NO)c3c[nH]c4c(OC)cccc34)c[nH]c12 Homo sapiens CHEMBL1053559 single protein format
CHEMBL3110005 OBDepict HO NH O H H IC50 = 340.0 nM 253.3 O=C(NO)C1[C@H](c2ccccc2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3112173 single protein format
CHEMBL1631916 OBDepict OH HN O O O HN O O CH 3 IC50 = 341.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634305 single protein format
CHEMBL3758457 OBDepict OH N H O HN F IC50 = 354.0 nM 352.41 O=C(/C=C/c1ccc(/C=C(/CNC2CC2)c2ccc(F)cc2)cc1)NO Homo sapiens CHEMBL3760291 single protein format
CHEMBL4241370 OBDepict HO N H O N H CH 3 H 3 C HN O O F F F Ki = 360.0 nM 413.4 CC(C)(CCCCC(=O)NO)Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O Homo sapiens CHEMBL4236289 single protein format
CHEMBL4069287 OBDepict OH HN O N S O O IC50 = 400.0 nM 356.4 O=C(NO)c1ccc(Cn2c3c(c4ccccc42)S(=O)(=O)CC3)cc1 Homo sapiens CHEMBL4035205 single protein format
CHEMBL4759256 OBDepict OH N H O HN S O O N H 3 C H 3 C IC50 = 400.0 nM 379.48 CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NO)cccc12 Homo sapiens CHEMBL4673944 single protein format
CHEMBL4445312 OBDepict HO NH O N S O O IC50 = 400.0 nM 358.42 O=C(NO)c1ccc(CN2c3ccccc3C3C2CCS3(=O)=O)cc1 Homo sapiens CHEMBL4422770 single protein format
CHEMBL356066 OBDepict OH N N H NH O HO Ki = 420.0 nM 379.46 O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Homo sapiens CHEMBL1216986 single protein format
CHEMBL4761847 OBDepict OH HN O HN N O IC50 = 430.0 nM 435.48 O=C(NO)c1ccc(Nc2c3ccccc3nc3ccc(OCc4ccccc4)cc23)cc1 Homo sapiens CHEMBL4685846 cell-based format
CHEMBL4443548 OBDepict OH NH O N N H N O N N H H CH 3 N N N N H IC50 = 439.0 nM 562.59 CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(NCc3ccc(C(=O)NO)cn3)c2c(=O)n1-c1ccccc1 Homo sapiens CHEMBL4405131 cell-based format
CHEMBL3675757 OBDepict OH N H O N N N IC50 = 458.0 nM 314.39 O=C(CCCCCCN(c1ccccn1)c1ccccn1)NO Homo sapiens CHEMBL3707602 single protein format
CHEMBL572545 OBDepict OH NH O N CH 3 IC50 = 470.0 nM 254.29 CN1c2ccccc2C(C(=O)NO)c2ccccc21 Homo sapiens CHEMBL1050115 assay format
CHEMBL3827894 OBDepict HO N H O N N N CH 3 N N H 3 C N N N O N N NH 2 IC50 = 484.0 nM 492.5 CN(Cc1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3829036 cell-based format
CHEMBL4531108 OBDepict OH N H O N S F O O IC50 = 500.0 nM 388.42 O=C(NO)c1ccc(Cn2c3c(c4cc(F)ccc42)CS(=O)(=O)CC3)cc1 Homo sapiens CHEMBL4422770 single protein format