HOME LIGAND hPROTEOME OTHERS DOCUMENT

O15379 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3)

3D structures mapped by conservation among orthologs

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

download pymol session



[ 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
CHEMBL469274 OBDepict OH N H O N H O N O NH O O H 3 C CH 3 H 3 C IC50 < 0.002 nM 446.5 CC(C)(C)OC(=O)Nc1cccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)c1 Homo sapiens CHEMBL976443 single protein format
CHEMBL4862152 OBDepict H 3 C O N H H N O O H O CH 3 N N H 3 C IC50 = 0.08 nM 586.78 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1 Homo sapiens CHEMBL4828009 cell-based format
CHEMBL4641682 OBDepict H 3 C N N H O H N N H F O N O IC50 = 0.087 nM 453.52 CN1CC(C(=O)N[C@@H](CCCCCC(=O)c2ccon2)c2ncc(-c3ccccc3F)[nH]2)C1 Homo sapiens CHEMBL4731925 cell-based format
CHEMBL4649205 OBDepict CH 3 O N H H N N H O H O N H 3 C N IC50 = 0.093 nM 571.77 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4861467 OBDepict CH 3 O N H H N N H O H O H 3 C N N IC50 = 0.1 nM 571.77 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1 Homo sapiens CHEMBL4828009 cell-based 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 Ki = 0.15 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 CHEMBL1216984 single protein format
CHEMBL4644038 OBDepict CH 3 O N H H N N H O H O N CH 3 N CH 3 H 3 C IC50 = 0.18 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C(C)C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4642518 OBDepict H 3 C O N H H N N H O H O N CH 3 N H 3 C IC50 = 0.19 nM 531.7 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4759693 OBDepict H 3 C O HN H N N H O N H N N CH 3 H 3 C IC50 = 0.2 nM 540.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc3nc(C)ccc3c2)nc1C#N Homo sapiens CHEMBL4669388 single protein format
CHEMBL4753452 OBDepict H 3 C N H N H O H N N H O Cl H 3 C O H 3 C IC50 < 0.2 nM 529.13 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(Cl)ccc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4792257 OBDepict H 3 C N H N H O H N N H O CH 3 H 3 C O H 3 C IC50 < 0.2 nM 508.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C)ccc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4780974 OBDepict CH 3 N H N H O H N N H O N CH 3 O H 3 C CH 3 IC50 < 0.2 nM 511.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(C2=CCC(C)N=C2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4742026 OBDepict CH 3 O N H H N N H O H N CH 3 N CH 3 IC50 = 0.2 nM 503.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cn(C)c3ccccc23)[nH]1 Homo sapiens CHEMBL4689535 single protein format
CHEMBL4780309 OBDepict H 3 C O NH H N N H O H N N CH 3 H IC50 = 0.2 nM 539.72 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3[nH]c4ccccc4c3c2)[nH]1 Homo sapiens CHEMBL4689535 single protein format
CHEMBL4753460 OBDepict CH 3 N H N H O H N N H O CH 3 O H 3 C H 3 C CH 3 IC50 = 0.2 nM 536.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C(C)C)ccc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4638264 OBDepict CH 3 N H NH O H N N H O N H 3 C O H 3 C IC50 = 0.28 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4746782 OBDepict H 3 C O HN H N N H O N H N CH 3 N IC50 = 0.3 nM 552.72 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(-c3cccnc3)cc2)nc1C#N Homo sapiens CHEMBL4669388 single protein format
CHEMBL4856631 OBDepict CH 3 O N H H N N H O H N CH 3 O N CH 3 IC50 < 0.3 nM 531.7 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3c(=O)n(C)ccc3c2)[nH]1 Homo sapiens CHEMBL4813305 single protein format
CHEMBL4761973 OBDepict H 3 C O HN H N N H O N H N N N CH 3 H 3 C IC50 = 0.3 nM 529.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc3nn(C)cc3c2)nc1C#N Homo sapiens CHEMBL4669388 single protein format
CHEMBL4637357 OBDepict H 3 C N H NH O H N N H O N CH 3 O H 3 C IC50 = 0.34 nM 545.73 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4642023 OBDepict CH 3 O N H H N N H O H O N CH 3 N CH 3 H 3 C IC50 = 0.34 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCC(N(C)C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL3317811 OBDepict HS H O O O N H H HN O S N H 3 C N S HO IC50 = 0.38 nM 560.72 C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccc(O)cc1)NC2=O Homo sapiens CHEMBL3366147 single protein format
CHEMBL4759606 OBDepict H 3 C N H N H O H N N H O F H 3 C O H 3 C IC50 = 0.4 nM 512.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(F)ccc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4278715 OBDepict OH N H O NH N N H O O H 3 C O H 3 C CH 3 IC50 = 0.41 nM 498.54 COc1cc(-c2nc(NCc3ccc(C(=O)NO)cc3)cc3c2[nH]c2ccccc23)cc(OC)c1OC Homo sapiens CHEMBL4254162 single protein format
CHEMBL511749 OBDepict OH N H O N H O N O N H O O H 3 C H 3 C CH 3 IC50 = 0.42 nM 446.5 CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1 Homo sapiens CHEMBL976443 single protein format
CHEMBL4876454 OBDepict HO N H O N H O N O N H O O CH 3 CH 3 CH 3 IC50 = 0.42 nM 446.5 CC(C)(C)OC(=O)Nc1ccc(-c2cc(NC(=O)CCCCCCC(=O)NO)no2)cc1 Homo sapiens CHEMBL4842902 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 Ki = 0.58 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL1166730 single protein format
CHEMBL4745088 OBDepict CH 3 O N H H N N H O H N N CH 3 IC50 = 0.6 nM 501.68 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cnc3ccccc3c2)[nH]1 Homo sapiens CHEMBL4689535 single protein format
CHEMBL4648704 OBDepict H 3 C N H NH O H N O O N CH 3 O H 3 C IC50 = 0.6 nM 546.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)o1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL3621294 OBDepict OH HN O NH O N H O N H IC50 = 0.669 nM 396.45 O=C(CCCCCCC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2)NO Homo sapiens CHEMBL3626710 single protein format
CHEMBL3317810 OBDepict SH H O O N H O H NH S N O CH 3 N S IC50 = 0.68 nM 544.72 C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccccc1)NC2=O Homo sapiens CHEMBL3366147 single protein format
CHEMBL4747553 OBDepict CH 3 N H N H O H N N H O CH 3 O F F F CH 3 IC50 = 0.7 nM 562.68 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C(F)(F)F)ccc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4755945 OBDepict CH 3 N H N H O H N N H F O CH 3 O CH 3 IC50 = 0.7 nM 512.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2c(F)cccc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4785376 OBDepict CH 3 N H HN O H N N H O H 2 N O F CH 3 IC50 = 0.7 nM 525.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O Homo sapiens CHEMBL4669388 single protein format
CHEMBL4288953 OBDepict HO N H O HN N N H CH 3 IC50 = 0.75 nM 422.49 Cc1ccc(-c2nc(NCc3ccc(C(=O)NO)cc3)cc3c2[nH]c2ccccc23)cc1 Homo sapiens CHEMBL4254162 single protein format
CHEMBL4237803 OBDepict HO NH O N H NH O O O CH 3 Ki = 0.8 nM 347.37 COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236286 single protein format
CHEMBL4638976 OBDepict CH 3 O N H H N N H O O N H 3 C N H 3 C IC50 = 0.8 nM 531.7 CCC(=O)CCCCC[C@H](NC(=O)CC1CC2(C1)CN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL3759794 OBDepict OH N H O N H O N N IC50 = 0.8 nM 354.41 O=C(CCCCCC(=O)N/N=C/c1ccc(-c2cccnc2)cc1)NO Homo sapiens CHEMBL3761793 single protein format
CHEMBL4638330 OBDepict H 3 C O N H H N N H O H O N N CH 3 H 3 C IC50 = 0.8 nM 503.65 CCC(=O)CCCCC[C@H](NC(=O)[C@@H]1CC12CN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4854377 OBDepict CH 3 O H N H N N O H H N N IC50 = 0.86 nM 555.77 CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(C/C=C/CN2C4CCC2c2cc(ccc24)-c2cnc1[nH]2)CC3 Homo sapiens CHEMBL4813305 single protein format
CHEMBL4644118 OBDepict H 3 C O N H H N N H O H O N N CH 3 H 3 C IC50 = 0.9 nM 517.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1C[C@]12CCN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4748244 OBDepict CH 3 O N H H N N H O O NH 2 H N F H 3 C IC50 = 0.9 nM 511.64 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O Homo sapiens CHEMBL4669388 single protein format
CHEMBL4526892 OBDepict CH 3 N H N H O N H O IC50 = 0.95 nM 337.42 CCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1 Homo sapiens CHEMBL4681356 cell-based 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 = 1.0 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 CHEMBL4771442 single protein 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 CHEMBL3379480 single protein format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H Ki = 1.1 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL1216984 single protein format
CHEMBL3317812 OBDepict SH H O O N H O H NH S N N O N CH 3 N H S IC50 = 1.1 nM 534.69 C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1c[nH]cn1)NC2=O Homo sapiens CHEMBL3366147 single protein format
CHEMBL4641343 OBDepict CH 3 O N H H N N H O O N H 3 C N H 3 C IC50 = 1.2 nM 517.67 CCC(=O)CCCCC[C@H](NC(=O)C1CC2(C1)CN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL3759059 OBDepict H 3 C O N Br HN O O HN OH IC50 = 1.2 nM 386.25 COc1ccc(Br)c(/C=N/NC(=O)CCCCCC(=O)NO)c1 Homo sapiens CHEMBL3761793 single protein format
CHEMBL4633758 OBDepict CH 3 O N H H N N H O N O O N H 3 C N H 3 C IC50 = 1.2 nM 560.7 CCC(=O)CCCCC[C@H](NC(=O)C1=NOC2(CCN(C)CC2)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4634829 OBDepict H 3 C O N H H N N H O H O N N CH 3 H 3 C IC50 = 1.2 nM 517.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1C[C@@]12CCN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 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 = 1.3 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 CHEMBL3366353 single protein format
CHEMBL4464421 OBDepict CH 3 O HN O N S N H O N H O HO IC50 = 1.3 nM 420.49 CCOC(=O)Nc1cccc(-c2csc(NC(=O)CCCCCC(=O)NO)n2)c1 Homo sapiens CHEMBL4401310 single protein format
CHEMBL4285608 OBDepict CH 3 O N N N H H N H O OH IC50 = 1.3 nM 438.49 COc1cccc(-c2nc(NCc3ccc(C(=O)NO)cc3)cc3c2[nH]c2ccccc23)c1 Homo sapiens CHEMBL4254162 single protein format
CHEMBL3758870 OBDepict OH N H O N H O N N IC50 = 1.4 nM 354.41 O=C(CCCCCC(=O)N/N=C/c1ccc(-c2ccccn2)cc1)NO Homo sapiens CHEMBL3761793 single protein format
CHEMBL1091815 OBDepict OH N H O NH O N N N F F IC50 = 1.4 nM 443.45 O=C(CCCCCCC(=O)Nc1cccc(-c2cn(-c3cc(F)cc(F)c3)nn2)c1)NO Homo sapiens CHEMBL1101058 single protein format
CHEMBL4794196 OBDepict CH 3 N H N H O H N N H O F CH 3 F O CH 3 IC50 = 1.4 nM 530.66 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(F)cc(F)c2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4532398 OBDepict HO N H O N N N N N O NH N O O H H 3 C IC50 = 1.47 nM 566.66 C[C@@H]1CN(C(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cnn(CCCCCCC(=O)NO)c4n3)cc2)CCO1 Homo sapiens CHEMBL4413541 single protein format
CHEMBL408513 OBDepict OH N H O S NH O O Ki = 1.5 nM 318.35 O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Homo sapiens CHEMBL1216984 single protein format
CHEMBL4646582 OBDepict CH 3 N H NH O H N N H O N H 3 C O H 3 C IC50 = 1.5 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4637745 OBDepict CH 3 O N H H N N H O O N H 3 C N H 3 C IC50 = 1.5 nM 545.73 CCC(=O)CCCCC[C@H](NC(=O)C1CCC2(CC1)CN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4636652 OBDepict H 3 C O N H H N N H O H O N N CH 3 H 3 C IC50 = 1.5 nM 503.65 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4793832 OBDepict CH 3 N H N H O H N N H O F CH 3 O F CH 3 IC50 = 1.5 nM 530.66 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(F)c(F)cc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4873493 OBDepict H 3 C O N H H N O O H O CH 3 N N CH 3 IC50 < 1.5 nM 546.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3cc2OC)o1 Homo sapiens CHEMBL4828009 cell-based format
CHEMBL4754365 OBDepict CH 3 N H N H O H N N H O N CH 3 O O CH 3 H 3 C IC50 = 1.5 nM 525.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc(OC)nc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4864510 OBDepict H 3 C O N H H N N H O H O CH 3 N N CH 3 IC50 < 1.5 nM 545.73 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1 Homo sapiens CHEMBL4828009 cell-based format
CHEMBL4632432 OBDepict H 3 C O N H H N N H O H O N CH 3 N F F F IC50 = 1.5 nM 599.7 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC(F)(F)F)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4862556 OBDepict H 3 C O N H H N O O H O CH 3 N N H 3 C IC50 < 1.5 nM 532.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3cccnc3cc2OC)o1 Homo sapiens CHEMBL4828009 cell-based format
CHEMBL4646915 OBDepict H 3 C O N H H N O O H O N CH 3 N H 3 C IC50 < 1.5 nM 532.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccccc3nc2OC)o1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4742036 OBDepict CH 3 O N H N N H O O H 2 N S N IC50 < 1.5 nM 453.57 CCC(=O)CCCCCC(NC(=O)c1cncs1)c1[nH]c(-c2ccccc2)nc1C(N)=O Homo sapiens CHEMBL4669388 single protein format
CHEMBL4859998 OBDepict CH 3 N H HN O H N N H O CH 3 O N H 3 C IC50 < 1.5 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc3c(=O)n(CC)ccc3c2)[nH]1 Homo sapiens CHEMBL4813305 single protein format
CHEMBL1094708 OBDepict HO N H O N H O N N N NH 2 IC50 = 1.55 nM 422.49 Nc1ccc(-n2cc(-c3cccc(NC(=O)CCCCCCC(=O)NO)c3)nn2)cc1 Homo sapiens CHEMBL1101058 single protein format
CHEMBL3758735 OBDepict OH N H O HN O N S IC50 = 1.6 nM 359.45 O=C(CCCCCC(=O)N/N=C/c1ccc(-c2cccs2)cc1)NO Homo sapiens CHEMBL3761793 single protein format
CHEMBL4640923 OBDepict H 3 C O N H H N N H O H O N CH 3 N H 3 C IC50 = 1.6 nM 531.7 CCC(=O)CCCCC[C@H](NC(=O)[C@@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL1088735 OBDepict HO N H O HN O N N N OH IC50 = 1.66 nM 437.5 O=C(CCCCCCC(=O)Nc1cccc(-c2cn(Cc3ccc(O)cc3)nn2)c1)NO Homo sapiens CHEMBL1101058 single protein format
CHEMBL4640939 OBDepict CH 3 N H NH O H N N H O N CH 3 O CH 3 IC50 = 1.7 nM 559.76 CCCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4550526 OBDepict OH N H O N H O S N NH O O H 3 C CH 3 H 3 C IC50 = 1.7 nM 448.55 CC(C)(C)OC(=O)Nc1cccc(-c2csc(NC(=O)CCCCCC(=O)NO)n2)c1 Homo sapiens CHEMBL4401310 single protein format
CHEMBL4753639 OBDepict H 3 C N H N H O H N N H O N H 3 C O H 3 C IC50 = 1.8 nM 495.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cccnc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4759472 OBDepict CH 3 N H N H O H N N H N O F H 3 C IC50 = 1.8 nM 507.65 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C#N Homo sapiens CHEMBL4669388 single protein format
CHEMBL4645468 OBDepict H 3 C O N H H N N H O H O N N CH 3 H 3 C IC50 = 1.8 nM 517.67 CCC(=O)CCCCC[C@H](NC(=O)[C@@H]1C[C@]12CCN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL3622533 OBDepict HO N H O N N N CH 3 S N N N N O O CH 3 IC50 = 1.8 nM 508.56 COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1 Homo sapiens CHEMBL4339269 single protein format
CHEMBL3758281 OBDepict OH N H O N H O N N IC50 = 1.8 nM 354.41 O=C(CCCCCC(=O)N/N=C/c1ccc(-c2ccncc2)cc1)NO Homo sapiens CHEMBL3761793 single protein format
CHEMBL4751762 OBDepict H 3 C N H N H O H N N H O H 3 C F O H 3 C IC50 = 1.9 nM 512.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cccc(F)c2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format
CHEMBL4797893 OBDepict CH 3 O N H H N N H O N H N H 3 C F F F IC50 = 1.9 nM 543.63 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1C#N Homo sapiens CHEMBL4669388 single protein format
CHEMBL4090165 OBDepict OH N H O N N N N IC50 = 2.0 nM 377.45 O=C(NO)c1ccc(Cn2cc(-c3ccc(CN4CCCC4)cc3)nn2)cc1 Homo sapiens CHEMBL4035214 single protein format
CHEMBL2417782 OBDepict OH HN O N H O S N NH O O H 3 C CH 3 H 3 C IC50 = 2.0 nM 462.57 CC(C)(C)OC(=O)Nc1cccc(-c2csc(NC(=O)CCCCCCC(=O)NO)n2)c1 Homo sapiens CHEMBL2424286 cell-based format
CHEMBL3759921 OBDepict OH NH O N H O N IC50 = 2.0 nM 367.45 O=C(CCCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO Homo sapiens CHEMBL3761793 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 IC50 = 2.0 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL954937 single protein format
CHEMBL3098602 OBDepict OH HN O N H H N H O O H HN O F F F IC50 = 2.0 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 CHEMBL3376040 single protein format
CHEMBL4642874 OBDepict OH N H O N H O O IC50 = 2.0 nM 390.44 O=C(NO)c1ccc(NC(=O)C2(c3ccc4ccccc4c3)CCOCC2)cc1 Homo sapiens CHEMBL4606152 single protein format
CHEMBL3356925 OBDepict SH N H H N H O O H O N H H IC50 = 2.0 nM 439.58 O=C(Nc1ccccc1)[C@H](CCCCCS)NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 Homo sapiens CHEMBL3379480 single protein format
CHEMBL4639966 OBDepict OH N H O N H O N N H IC50 = 2.0 nM 404.47 O=C(NO)c1ccc(NC(=O)C2(c3ccc(-c4cn[nH]c4)cc3)CCCCC2)cc1 Homo sapiens CHEMBL4606152 single protein format
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 CHEMBL3598914 single protein format
CHEMBL4637397 OBDepict H 3 C O HN H N N H O H O N N CH 3 CH 3 IC50 = 2.1 nM 531.7 CCC(=O)CCCCC[C@H](NC(=O)[C@@H]1CC12CCCN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL4649561 OBDepict H 3 C O N H H N N H O H O N CH 3 O IC50 = 2.1 nM 518.66 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCOCC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623363 single protein format
CHEMBL1630208 OBDepict OH N H O NH O S N NH 2 IC50 = 2.1 nM 348.43 Nc1cccc(-c2csc(NC(=O)CCCCCC(=O)NO)n2)c1 Homo sapiens CHEMBL4401310 single protein format
CHEMBL4748516 OBDepict H 3 C O N H H N N H O H O N CH 3 N H 3 C H 3 C IC50 = 2.1 nM 495.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(C)nc2OC)[nH]1 Homo sapiens CHEMBL4689535 single protein format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H IC50 = 2.1 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL3538486 cell-based format
CHEMBL4798826 OBDepict OH HN O HN S O O H 3 C CH 3 H 3 C IC50 = 2.25 nM 348.42 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NO)cc2)cc1 Homo sapiens CHEMBL4708168 cell-based format
CHEMBL4797791 OBDepict CH 3 N H N H O H N N H O CH 3 O N CH 3 IC50 = 2.3 nM 519.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C#N)ccc2OC)[nH]1 Homo sapiens CHEMBL4689538 single protein format