Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50018171 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)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19136
(CHEMBL379049 | tert-butyl N-[(1S)-1-(cycloheptylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCCC1 |r| Show InChI InChI=1S/C19H36N2O3S/c1-19(2,3)24-18(23)21-16(13-9-6-10-14-25)17(22)20-15-11-7-4-5-8-12-15/h15-16,25H,4-14H2,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1 | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19134
(CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1 | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC4 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19135
(CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1 | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19136
(CHEMBL379049 | tert-butyl N-[(1S)-1-(cycloheptylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCCC1 |r| Show InChI InChI=1S/C19H36N2O3S/c1-19(2,3)24-18(23)21-16(13-9-6-10-14-25)17(22)20-15-11-7-4-5-8-12-15/h15-16,25H,4-14H2,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC4 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19136
(CHEMBL379049 | tert-butyl N-[(1S)-1-(cycloheptylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCCC1 |r| Show InChI InChI=1S/C19H36N2O3S/c1-19(2,3)24-18(23)21-16(13-9-6-10-14-25)17(22)20-15-11-7-4-5-8-12-15/h15-16,25H,4-14H2,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1 | 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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19134
(CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC4 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM19135
(CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC4 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19134
(CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r| Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1 | 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 | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19135
(CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...)Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1 | 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 | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
J Med Chem 49: 4809-12 (2006)
Article DOI: 10.1021/jm060554y BindingDB Entry DOI: 10.7270/Q2M61JWX |
More data for this Ligand-Target Pair | |