Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50388925'   

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))	BDBM50388925 (CHEMBL2063396) Show SMILES CCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(CN(C)C)c3ccccc23)NC1=O |r| Show InChI InChI=1S/C29H44N6O4/c1-7-10-23-28(38)33-24(14-20-16-35(17-34(5)6)25-12-9-8-11-22(20)25)29(39)31-21(13-18(2)3)15-26(36)30-19(4)27(37)32-23/h8-9,11-12,16,18-19,21,23-24H,7,10,13-15,17H2,1-6H3,(H,30,36)(H,31,39)(H,32,37)(H,33,38)/t19-,21-,23-,24-/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	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of HDAC1 using Ac-Lys(Ac)-AMC as substrate by Lineweaver-Burk plot analysis				ACS Med Chem Lett 3: 505-508 (2012) Article DOI: 10.1021/ml300081u BindingDB Entry DOI: 10.7270/Q2JQ122X
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50388925 (CHEMBL2063396) Show SMILES CCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(CN(C)C)c3ccccc23)NC1=O |r| Show InChI InChI=1S/C29H44N6O4/c1-7-10-23-28(38)33-24(14-20-16-35(17-34(5)6)25-12-9-8-11-22(20)25)29(39)31-21(13-18(2)3)15-26(36)30-19(4)27(37)32-23/h8-9,11-12,16,18-19,21,23-24H,7,10,13-15,17H2,1-6H3,(H,30,36)(H,31,39)(H,32,37)(H,33,38)/t19-,21-,23-,24-/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	680	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50388925 (CHEMBL2063396) Show SMILES CCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(CN(C)C)c3ccccc23)NC1=O |r| Show InChI InChI=1S/C29H44N6O4/c1-7-10-23-28(38)33-24(14-20-16-35(17-34(5)6)25-12-9-8-11-22(20)25)29(39)31-21(13-18(2)3)15-26(36)30-19(4)27(37)32-23/h8-9,11-12,16,18-19,21,23-24H,7,10,13-15,17H2,1-6H3,(H,30,36)(H,31,39)(H,32,37)(H,33,38)/t19-,21-,23-,24-/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	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 using Ac-Lys(Ac)-AMC as substrate after 30 mins by fluorescence analysis				ACS Med Chem Lett 3: 505-508 (2012) Article DOI: 10.1021/ml300081u BindingDB Entry DOI: 10.7270/Q2JQ122X
					More data for this Ligand-Target Pair