Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50372446' 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)) | BDBM50372446
(CHEMBL272401)Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7| Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
J Med Chem 51: 1505-29 (2008)
Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50372446
(CHEMBL272401)Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7| Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 |
J Med Chem 51: 1505-29 (2008)
Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50372446
(CHEMBL272401)Show SMILES CN1CCCCC1N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |w:6.7| Show InChI InChI=1S/C24H34N4O2S/c1-18(29)11-5-3-8-14-20(25-22-15-9-10-16-28(22)2)23(30)27-24-26-21(17-31-24)19-12-6-4-7-13-19/h4,6-7,12-13,17,20,22,25H,3,5,8-11,14-16H2,1-2H3,(H,26,27,30)/t20-,22?/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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 from human HeLa cells |
J Med Chem 51: 1505-29 (2008)
Article DOI: 10.1021/jm7011408 BindingDB Entry DOI: 10.7270/Q2M32WMT |
More data for this Ligand-Target Pair | |