Found 20 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219425
(CHEMBL242533 | N-hydroxy-3-[3-(1H-indole-2-carbony...)Show SMILES ONC(=O)\C=C\c1cccc(c1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C18H14N2O3/c21-17(20-23)9-8-12-4-3-6-14(10-12)18(22)16-11-13-5-1-2-7-15(13)19-16/h1-11,19,23H,(H,20,21)/b9-8+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50219425
(CHEMBL242533 | N-hydroxy-3-[3-(1H-indole-2-carbony...)Show SMILES ONC(=O)\C=C\c1cccc(c1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C18H14N2O3/c21-17(20-23)9-8-12-4-3-6-14(10-12)18(22)16-11-13-5-1-2-7-15(13)19-16/h1-11,19,23H,(H,20,21)/b9-8+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC8 |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50219425
(CHEMBL242533 | N-hydroxy-3-[3-(1H-indole-2-carbony...)Show SMILES ONC(=O)\C=C\c1cccc(c1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C18H14N2O3/c21-17(20-23)9-8-12-4-3-6-14(10-12)18(22)16-11-13-5-1-2-7-15(13)19-16/h1-11,19,23H,(H,20,21)/b9-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3 |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219422
(3-[3-(benzofuran-2-carbonyl)phenyl]-N-hydroxyacryl...)Show InChI InChI=1S/C18H13NO4/c20-17(19-22)9-8-12-4-3-6-14(10-12)18(21)16-11-13-5-1-2-7-15(13)23-16/h1-11,22H,(H,19,20)/b9-8+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50219422
(3-[3-(benzofuran-2-carbonyl)phenyl]-N-hydroxyacryl...)Show InChI InChI=1S/C18H13NO4/c20-17(19-22)9-8-12-4-3-6-14(10-12)18(21)16-11-13-5-1-2-7-15(13)23-16/h1-11,22H,(H,19,20)/b9-8+ | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC3 |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50219422
(3-[3-(benzofuran-2-carbonyl)phenyl]-N-hydroxyacryl...)Show InChI InChI=1S/C18H13NO4/c20-17(19-22)9-8-12-4-3-6-14(10-12)18(21)16-11-13-5-1-2-7-15(13)23-16/h1-11,22H,(H,19,20)/b9-8+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC8 |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219430
(3-[3-(1-benzenesulfonyl-1H-indole-2-carbonyl)pheny...)Show SMILES ONC(=O)\C=C\c1cccc(c1)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H18N2O5S/c27-23(25-29)14-13-17-7-6-9-19(15-17)24(28)22-16-18-8-4-5-12-21(18)26(22)32(30,31)20-10-2-1-3-11-20/h1-16,29H,(H,25,27)/b14-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219431
(3-(1-benzenesulfonyl-2-benzoyl-1H-indol-5-yl)-N-hy...)Show SMILES ONC(=O)\C=C\c1ccc2n(c(cc2c1)C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H18N2O5S/c27-23(25-29)14-12-17-11-13-21-19(15-17)16-22(24(28)18-7-3-1-4-8-18)26(21)32(30,31)20-9-5-2-6-10-20/h1-16,29H,(H,25,27)/b14-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219433
(3-[1-Benzenesulfonyl-2-(3-methoxybenzoyl)-1H-indol...)Show SMILES COc1cccc(c1)C(=O)c1cc2cc(\C=C\C(=O)NO)ccc2n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H20N2O6S/c1-33-20-7-5-6-18(15-20)25(29)23-16-19-14-17(11-13-24(28)26-30)10-12-22(19)27(23)34(31,32)21-8-3-2-4-9-21/h2-16,30H,1H3,(H,26,28)/b13-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219424
(3-(2-benzoyl-1H-indol-5-yl)-N-hydroxyacrylamide | ...)Show SMILES ONC(=O)\C=C\c1ccc2[nH]c(cc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H14N2O3/c21-17(20-23)9-7-12-6-8-15-14(10-12)11-16(19-15)18(22)13-4-2-1-3-5-13/h1-11,19,23H,(H,20,21)/b9-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219432
(CHEMBL244885 | N-hydroxy-3-[2-(3-methoxybenzoyl)-1...)Show SMILES COc1cccc(c1)C(=O)c1cc2cc(\C=C\C(=O)NO)ccc2[nH]1 Show InChI InChI=1S/C19H16N2O4/c1-25-15-4-2-3-13(10-15)19(23)17-11-14-9-12(5-7-16(14)20-17)6-8-18(22)21-24/h2-11,20,24H,1H3,(H,21,22)/b8-6+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219421
(CHEMBL396559 | N-hydroxy-3-[4-(5-methoxy-1H-indole...)Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C19H16N2O4/c1-25-15-7-8-16-14(10-15)11-17(20-16)19(23)13-5-2-12(3-6-13)4-9-18(22)21-24/h2-11,20,24H,1H3,(H,21,22)/b9-4+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219423
(CHEMBL390908 | N-hydroxy-3-[4-(1H-indole-2-carbony...)Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C18H14N2O3/c21-17(20-23)10-7-12-5-8-13(9-6-12)18(22)16-11-14-3-1-2-4-15(14)19-16/h1-11,19,23H,(H,20,21)/b10-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219420
(3-[4-(benzofuran-2-carbonyl)phenyl]-N-hydroxyacryl...)Show InChI InChI=1S/C18H13NO4/c20-17(19-22)10-7-12-5-8-13(9-6-12)18(21)16-11-14-3-1-2-4-15(14)23-16/h1-11,22H,(H,19,20)/b10-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219427
(3-[4-(1-benzenesulfonyl-1H-indole-2-carbonyl)pheny...)Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H18N2O5S/c27-23(25-29)15-12-17-10-13-18(14-11-17)24(28)22-16-19-6-4-5-9-21(19)26(22)32(30,31)20-7-2-1-3-8-20/h1-16,29H,(H,25,27)/b15-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219429
(3-[4-(1-benzenesulfonyl-5-methoxy-1H-indole-2-carb...)Show SMILES COc1ccc2n(c(cc2c1)C(=O)c1ccc(\C=C\C(=O)NO)cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H20N2O6S/c1-33-20-12-13-22-19(15-20)16-23(27(22)34(31,32)21-5-3-2-4-6-21)25(29)18-10-7-17(8-11-18)9-14-24(28)26-30/h2-16,30H,1H3,(H,26,28)/b14-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219428
(CHEMBL244887 | N-hydroxy-3-[2-(3-methoxybenzoyl)be...)Show SMILES COc1cccc(c1)C(=O)c1cc2cc(\C=C\C(=O)NO)ccc2o1 Show InChI InChI=1S/C19H15NO5/c1-24-15-4-2-3-13(10-15)19(22)17-11-14-9-12(5-7-16(14)25-17)6-8-18(21)20-23/h2-11,23H,1H3,(H,20,21)/b8-6+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219426
(CHEMBL395976 | N-hydroxy-3-[2-(3,4,5-trimethoxyben...)Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc2cc(\C=C\C(=O)NO)ccc2o1 Show InChI InChI=1S/C21H19NO7/c1-26-17-10-14(11-18(27-2)21(17)28-3)20(24)16-9-13-8-12(4-6-15(13)29-16)5-7-19(23)22-25/h4-11,25H,1-3H3,(H,22,23)/b7-5+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50219419
(3-(2-benzoylbenzofuran-5-yl)-N-hydroxyacrylamide |...)Show InChI InChI=1S/C18H13NO4/c20-17(19-22)9-7-12-6-8-15-14(10-12)11-16(23-15)18(21)13-4-2-1-3-5-13/h1-11,22H,(H,19,20)/b9-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC1 in HeLa cells |
J Med Chem 50: 4405-18 (2007)
Article DOI: 10.1021/jm0703136 BindingDB Entry DOI: 10.7270/Q2MC8ZQ1 |
More data for this Ligand-Target Pair | |