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Q96DB2 | HDA11_HUMAN | Histone deacetylase 11 (HDAC11)

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 = 0.07 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL3598922 single protein format
CHEMBL343448 OBDepict H 3 C N H O NH O H N H H S CH 3 CH 3 O O S O H HN H H 3 C H 3 C O IC50 = 0.3 nM 540.71 C/C=C1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O Homo sapiens CHEMBL3366360 single protein format
CHEMBL3310505 OBDepict H 3 C N H O NH O H N H H S CH 3 CH 3 O O S O H HN H H 3 C H 3 C O IC50 = 0.3 nM 540.71 C/C=C1NC(=O)[C@H]2CSSCC/C=C/[C@@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O Homo sapiens CHEMBL4771534 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 IC50 = 0.4 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL4771400 cell-based format
CHEMBL3356916 OBDepict SH N H H N H O O H HN H 3 C O IC50 = 1.0 nM 391.54 Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL4130288 OBDepict OH HN O N H 3 C CH 3 N O F F F IC50 = 1.0 nM 391.35 CC1(C)c2cccc(C(=O)NO)c2CN1c1nc2cc(C(F)(F)F)ccc2o1 Homo sapiens CHEMBL4123079 assay format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H IC50 = 1.6 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL4339277 single protein format
CHEMBL4127743 OBDepict OH N H O N N N H F F F IC50 = 2.0 nM 362.31 O=C(NO)c1cccc2c1CN(c1nc3ccc(C(F)(F)F)cc3[nH]1)C2 Homo sapiens CHEMBL4123079 assay format
CHEMBL4127020 OBDepict OH HN O N H 3 C CH 3 N N H F F F IC50 = 2.0 nM 390.37 CC1(C)c2cccc(C(=O)NO)c2CN1c1nc2ccc(C(F)(F)F)cc2[nH]1 Homo sapiens CHEMBL4123079 assay format
CHEMBL4128972 OBDepict OH HN O N H 3 C CH 3 N O N IC50 = 2.0 nM 324.34 CC1(C)c2cccc(C(=O)NO)c2CN1c1nc2ncccc2o1 Homo sapiens CHEMBL4123079 assay format
CHEMBL609583 OBDepict OH N H O N N N N S O O IC50 = 2.1 nM 413.46 O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 Homo sapiens CHEMBL1068537 single protein format
CHEMBL1796689 OBDepict HS H O O N H O H N H H 3 C CH 3 S N O CH 3 N S IC50 = 3.0 nM 496.68 CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O Homo sapiens CHEMBL3366349 single protein format
CHEMBL3356917 OBDepict SH N H H N H O O H HN O H 3 C IC50 = 3.0 nM 391.54 Cc1ccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)cc1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL4126661 OBDepict OH HN O N H 3 C CH 3 N N F F F IC50 = 3.0 nM 352.32 CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1 Homo sapiens CHEMBL4123079 assay format
CHEMBL4127735 OBDepict OH HN O N H 3 C CH 3 N F F F IC50 = 3.0 nM 351.33 CC1(C)c2cccc(C(=O)NO)c2CN1c1ccc(C(F)(F)F)nc1 Homo sapiens CHEMBL4123079 assay format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H Ki = 3.5 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL1832530 single protein format
CHEMBL3356925 OBDepict SH N H H N H O O H O N H H IC50 = 4.0 nM 439.58 O=C(Nc1ccccc1)[C@H](CCCCCS)NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL1830537 OBDepict H 3 C N N N H CH 3 H 3 C N H O HO Ki = 4.2 nM 358.49 CCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832530 single protein format
CHEMBL4127894 OBDepict OH HN O N H 3 C CH 3 N N F F F IC50 = 5.0 nM 352.32 CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)cn1 Homo sapiens CHEMBL4123079 assay format
CHEMBL3356526 OBDepict SH N H H N H O O H N CH 3 O IC50 = 5.0 nM 391.54 CN1C(=O)CCC[C@H]1C(=O)N[C@@H](CCCCCS)C(=O)Nc1ccccc1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3356923 OBDepict SH HN H N H O O H N H CH 3 O IC50 = 5.0 nM 377.51 Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3622533 OBDepict HO N H O N N N CH 3 S N N N N O O CH 3 IC50 = 5.4 nM 508.56 COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1 Homo sapiens CHEMBL3829041 cell-based format
CHEMBL356066 OBDepict OH N N H NH O HO IC50 = 5.58 nM 379.46 O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Homo sapiens CHEMBL1634310 single protein format
CHEMBL4129134 OBDepict OH HN O N H 3 C CH 3 N F F F IC50 = 6.0 nM 351.33 CC1(C)c2cccc(C(=O)NO)c2CN1c1ccc(C(F)(F)F)cn1 Homo sapiens CHEMBL4123079 assay format
CHEMBL3356523 OBDepict HS N H H N H O O H N H O IC50 = 6.0 nM 377.51 O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)Nc2ccccc2)N1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL4129143 OBDepict OH N H O N N F F F IC50 = 7.0 nM 323.27 O=C(NO)c1cccc2c1CN(c1ccc(C(F)(F)F)cn1)C2 Homo sapiens CHEMBL4123079 assay format
CHEMBL4129266 OBDepict OH N H O N N O IC50 = 7.0 nM 295.3 O=C(NO)c1cccc2c1CN(c1nc3ccccc3o1)C2 Homo sapiens CHEMBL4123079 assay format
CHEMBL1830536 OBDepict H 3 C N H N N CH 3 N H O OH Ki = 8.8 nM 356.47 CC/C=CCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832530 single protein format
CHEMBL3356527 OBDepict HS NH H N H O O H O NH IC50 = 9.0 nM 377.51 O=C(Nc1ccccc1)[C@H](CCCCCS)NC(=O)[C@@H]1CCCNC1=O Homo sapiens CHEMBL3379484 single protein format
CHEMBL1083086 OBDepict OH N H O HN HN O O Br Ki = 9.0 nM 372.22 O=C(CCCCCNC(=O)NC(=O)c1ccc(Br)cc1)NO Homo sapiens CHEMBL1119903 single protein format
CHEMBL3356929 OBDepict SH N H H N H O O H N H O IC50 = 10.0 nM 349.46 O=C1C[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)Nc2ccccc2)N1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3356524 OBDepict HS N H H N H O O H N H O IC50 = 10.0 nM 377.51 O=C1CCC[C@H](C(=O)N[C@@H](CCCCCS)C(=O)Nc2ccccc2)N1 Homo sapiens CHEMBL3379484 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 CHEMBL1832530 single protein format
CHEMBL3356926 OBDepict SH N H H N H O O H O N H H IC50 = 12.0 nM 439.58 O=C(Nc1ccccc1)[C@H](CCCCCS)NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3356924 OBDepict HS NH H N H O O H N H 3 C CH 3 O IC50 = 12.0 nM 391.54 Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2C)c1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL491316 OBDepict OH HN O N N N Ki = 12.8 nM 404.51 O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCC1)NO Homo sapiens CHEMBL1016003 single protein format
CHEMBL3356927 OBDepict SH N H H N H O O H O N H H IC50 = 13.0 nM 439.58 O=C(Nc1ccccc1)[C@H](CCCCCS)NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL1830420 OBDepict CH 3 N N N H CH 3 N H O HO Ki = 13.0 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832530 single protein format
CHEMBL489332 OBDepict HO NH O N N N Ki = 14.0 nM 418.54 O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCCC1)NO Homo sapiens CHEMBL1832530 single protein format
CHEMBL3356919 OBDepict HS N H H N H O O H NH O IC50 = 14.0 nM 363.48 O=C1CC[C@@H](C(=O)N[C@H](CCCCCS)C(=O)Nc2ccccc2)N1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3353925 OBDepict HS N H H N H O O H NH O IC50 = 14.0 nM 363.48 O=C1CC[C@H](C(=O)N[C@@H](CCCCCS)C(=O)Nc2ccccc2)N1 Homo sapiens CHEMBL3376044 single protein format
CHEMBL2103863 OBDepict HO N H O O N H O O N CH 3 CH 3 IC50 = 14.0 nM 397.43 CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12 Homo sapiens CHEMBL4771400 cell-based 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 = 14.0 nM 386.54 CN(C)CC(C)(C)Cn1c(CC(C)(C)C)nc2cc(/C=C/C(=O)NO)ccc21 Homo sapiens CHEMBL1832530 single protein format
CHEMBL1830422 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 14.0 nM 372.51 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832530 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 IC50 = 15.0 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL960041 single protein format
CHEMBL3356915 OBDepict HS NH H N H O O H O NH IC50 = 15.0 nM 377.51 O=C(Nc1ccccc1)[C@H](CCCCCS)NC(=O)[C@H]1CCCNC1=O Homo sapiens CHEMBL3379484 single protein format
CHEMBL3098604 OBDepict HO N H O HN H NH O O H N H H 3 C O IC50 = 15.5 nM 404.47 Cc1cccc(NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCC(=O)N2)c1 Homo sapiens CHEMBL3102460 single protein format
CHEMBL4229142 OBDepict HO N H O N H O H HN O N H Cl IC50 = 15.8 nM 502.96 O=C(/C=C/c1ccc(C(=O)NO)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 Homo sapiens CHEMBL4221593 single protein 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 CHEMBL1832530 single protein format
CHEMBL1830396 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 18.0 nM 344.46 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832530 single protein format
CHEMBL594544 OBDepict HO N N N N F NH O OH IC50 = 20.7 nM 387.42 O=C(NO)c1cnc(N2CCN(C(/C=C/c3ccc(F)cc3)CO)CC2)nc1 Homo sapiens CHEMBL1068537 single protein format
CHEMBL4241370 OBDepict HO N H O N H CH 3 H 3 C HN O O F F F Ki = 21.0 nM 413.4 CC(C)(CCCCC(=O)NO)Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O Homo sapiens CHEMBL4236298 single protein format
CHEMBL1631914 OBDepict HO N H O H O O HN O O H 3 C IC50 = 22.9 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634310 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 CHEMBL1832530 single protein format
CHEMBL3356928 OBDepict SH N H H N H O O H O N H H IC50 = 24.0 nM 439.58 O=C(Nc1ccccc1)[C@H](CCCCCS)NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL4129231 OBDepict OH N H O N N IC50 = 26.0 nM 305.34 O=C(NO)c1cccc2c1CN(c1ccc3ccccc3n1)C2 Homo sapiens CHEMBL4123079 assay format
CHEMBL408513 OBDepict OH N H O S NH O O Ki = 27.0 nM 318.35 O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Homo sapiens CHEMBL1832530 single protein format
CHEMBL4126502 OBDepict OH HN O N H 3 C CH 3 N N F F F IC50 = 27.0 nM 352.32 CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)nc1 Homo sapiens CHEMBL4123079 assay format
CHEMBL4129070 OBDepict HO N H O N N N H IC50 = 30.0 nM 322.37 O=C(NO)c1cccc2c1CCN(c1nc3ccccc3[nH]1)CC2 Homo sapiens CHEMBL4123079 assay format
CHEMBL3356918 OBDepict HS N H H N H O O H NH O IC50 = 30.0 nM 363.48 O=C1CC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)Nc2ccccc2)N1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL4060201 OBDepict HO NH O N N N N N H IC50 = 31.0 nM 328.38 O=C(CCCCCCn1cc(-c2ncnc3[nH]ccc23)cn1)NO Homo sapiens CHEMBL4031327 cell-based format
CHEMBL2414098 OBDepict HO NH O N N H Br IC50 = 33.4 nM 340.22 O=C(CCCCCCc1nc2ccc(Br)cc2[nH]1)NO Homo sapiens CHEMBL2417246 single protein format
CHEMBL257972 OBDepict HO O H N H H CH 3 O O NH H HN H O CH 3 CH 3 O N H H CH 3 HO Ki = 35.0 nM 530.62 CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=CCCC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O Homo sapiens CHEMBL2423468 single protein format
CHEMBL4125954 OBDepict OH N H O N N S IC50 = 35.0 nM 311.37 O=C(NO)c1cccc2c1CN(c1nc3ccccc3s1)C2 Homo sapiens CHEMBL4123079 assay format
CHEMBL98 OBDepict OH NH O N H O Ki = 36.0 nM 264.32 O=C(CCCCCCC(=O)Nc1ccccc1)NO Homo sapiens CHEMBL1119903 single protein format
CHEMBL3098691 OBDepict HO N H O N H H N H O O H HN O IC50 = 37.0 nM 390.44 O=C(CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1)NO Homo sapiens CHEMBL3102460 single protein format
CHEMBL4244764 OBDepict HO N H O NH NH O O CH 3 Ki = 38.0 nM 403.52 CC(Nc1c(NCCCCCC(=O)NO)c(=O)c1=O)C12CC3CC(CC(C3)C1)C2 Homo sapiens CHEMBL4236298 single protein format
CHEMBL1083439 OBDepict OH N H O HN HN O O Ki = 39.0 nM 293.32 O=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO Homo sapiens CHEMBL1119903 single protein format
CHEMBL1851943 OBDepict H 3 C N N N H 3 C H 3 C N H O OH Ki = 43.0 nM 358.49 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC Homo sapiens CHEMBL3598922 single protein format
CHEMBL3353927 OBDepict SH N H H N H O O H HN O F F F IC50 = 44.0 nM 431.48 O=C1CC[C@H](C(=O)N[C@@H](CCCCCS)C(=O)Nc2cccc(C(F)(F)F)c2)N1 Homo sapiens CHEMBL3376044 single protein format
CHEMBL4798826 OBDepict OH HN O HN S O O H 3 C CH 3 H 3 C IC50 = 44.2 nM 348.42 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NO)cc2)cc1 Homo sapiens CHEMBL4708171 cell-based format
CHEMBL3098689 OBDepict HO N H O N H H N H O O H HN O IC50 = 47.0 nM 404.47 O=C(CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)Nc1ccccc1)NO Homo sapiens CHEMBL3102460 single protein format
CHEMBL3098688 OBDepict HO N H O N H H HN O O H HN O IC50 = 47.8 nM 418.49 O=C(CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)NCCc1ccccc1)NO Homo sapiens CHEMBL3102460 single protein format
CHEMBL3354920 OBDepict HO N H O O HN H O N H O CH 3 IC50 = 52.7 nM 485.54 COc1ccccc1C(=O)N[C@H](COc1cccc(/C=C/C(=O)NO)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL3374210 single protein format
CHEMBL4082995 OBDepict OH NH O O N IC50 = 54.7 nM 348.4 O=C(/C=C/c1cccn(CCCc2ccc3ccccc3c2)c1=O)NO Homo sapiens CHEMBL4422749 single protein format
CHEMBL3098602 OBDepict OH HN O N H H N H O O H HN O F F F IC50 = 55.5 nM 458.44 O=C(CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(C(F)(F)F)c1)NO Homo sapiens CHEMBL3102460 single protein format
CHEMBL1631913 OBDepict OH HN O O O HN O O CH 3 IC50 = 57.7 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)C(CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634310 single protein format
CHEMBL402363 OBDepict OH O H N H H H 3 C O O HN H NH H O H 3 C H 3 C O N H H H 3 C Ki = 60.0 nM 514.62 CC(C)[C@H]1NC(=O)[C@@H](C)[C@@H](C/C=CCCC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O Homo sapiens CHEMBL2423468 single protein format
CHEMBL3356922 OBDepict SH HN H N H O O H N H CH 3 O IC50 = 62.0 nM 377.51 Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCC(=O)N2)c1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3356921 OBDepict HS N H H N H O O H N H 3 C O IC50 = 67.0 nM 377.51 CN1C(=O)CC[C@@H]1C(=O)N[C@@H](CCCCCS)C(=O)Nc1ccccc1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3098694 OBDepict HO N H O N H H N H O O O NH IC50 = 70.0 nM 466.54 O=C(CCCCC[C@H](NC(=O)C1C(=O)NCC1c1ccccc1)C(=O)Nc1ccccc1)NO Homo sapiens CHEMBL3102460 single protein format
CHEMBL3670669 OBDepict H 3 C O N NH O H NH O N IC50 = 72.0 nM 502.57 COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)NCc2ccc(C(=O)Nc3ccccn3)cc2)cc1 Homo sapiens CHEMBL3707526 single protein format
CHEMBL3098690 OBDepict HO N H O N H H N H O O H HN O IC50 = 75.0 nM 390.44 O=C(CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1)NO Homo sapiens CHEMBL3102460 single protein format
CHEMBL1089495 OBDepict OH NH O N H O F F F IC50 = 75.1 nM 332.32 O=C(CCCCCCC(=O)Nc1cccc(C(F)(F)F)c1)NO Homo sapiens CHEMBL3102460 single protein format
CHEMBL4225063 OBDepict HO N H O N H O H HN O N H Cl IC50 = 76.3 nM 502.96 O=C(/C=C/c1ccc(C(=O)NO)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 Homo sapiens CHEMBL4221593 single protein format
CHEMBL4460552 OBDepict HO NH O N H CH 3 H O N S N S IC50 = 77.82 nM 490.61 C[C@H](NC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1 Homo sapiens CHEMBL4357507 cell-based format
CHEMBL3098605 OBDepict OH HN O N H O CH 3 IC50 = 78.6 nM 278.35 Cc1ccc(NC(=O)CCCCCCC(=O)NO)cc1 Homo sapiens CHEMBL3102460 single protein format
CHEMBL4475116 OBDepict CH 3 N H O N O NH O HO IC50 = 80.0 nM 383.45 CCCNc1ccc2c3c(cccc13)C(=O)N(CCCCCC(=O)NO)C2=O Homo sapiens CHEMBL4329364 cell-based format
CHEMBL3356937 OBDepict HS N H H N H O O H NH O CH 3 IC50 = 82.0 nM 419.59 Cc1cccc(CCNC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3356931 OBDepict SH N H H N H O O H N H O IC50 = 89.0 nM 369.53 O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)NC2CCCC2)N1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL1631915 OBDepict HO N H O H O O HN O O H 3 C IC50 = 97.1 nM 454.52 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@@H](CCCCCC(=O)NO)OC/C=C2 Homo sapiens CHEMBL1634310 single protein format
CHEMBL3426803 OBDepict OH NH O S N N H O IC50 = 100.0 nM 395.48 O=C(CCCCSc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1)NO Homo sapiens CHEMBL3429382 single protein format
CHEMBL3356920 OBDepict HS N H H N H O O H NH O IC50 = 102.0 nM 363.48 O=C1CC[C@H](C(=O)N[C@H](CCCCCS)C(=O)Nc2ccccc2)N1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL1631917 OBDepict HO N H O H O O HN O O H 3 C IC50 = 103.0 nM 456.54 COc1cc2cc(c1)COc1ccccc1NC(=O)[C@H](CCCCCC(=O)NO)OCCC2 Homo sapiens CHEMBL1634310 single protein format
CHEMBL3675758 OBDepict HO N H O N N N IC50 = 112.0 nM 364.45 O=C(CCCCCCN(c1ccccn1)c1ccc2ccccc2n1)NO Homo sapiens CHEMBL3707669 single protein format
CHEMBL1914702 OBDepict _ N + N N N N H O + N _ N O N N H O N H O OH IC50 = 116.0 nM 546.55 [N-]=[N+]=NCc1cc(N=[N+]=[N-])cc(C(=O)Nc2ccc(-c3cc(C(=O)NCCCCCCC(=O)NO)no3)cc2)c1 Homo sapiens CHEMBL1921146 single protein format
CHEMBL3098606 OBDepict HO N H O HN H NH O O H N H O CH 3 IC50 = 127.0 nM 404.47 Cc1ccc(NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCC(=O)N2)cc1 Homo sapiens CHEMBL3102460 single protein format
CHEMBL326433 OBDepict SH N H O IC50 = 133.0 nM 251.4 O=C(CCCCCCCS)Nc1ccccc1 Homo sapiens CHEMBL3379484 single protein format
CHEMBL3098695 OBDepict OH N H O N H H NH O O H N H O IC50 = 135.0 nM 376.41 O=C(CCCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)Nc1ccccc1)NO Homo sapiens CHEMBL3102460 single protein format
CHEMBL4237803 OBDepict HO NH O N H NH O O O CH 3 Ki = 140.0 nM 347.37 COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236298 single protein format