Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50232653'   

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))	BDBM50232653 (CHEMBL403467 | N-(2-aminophenyl)-4-((6-methoxybenz...) Show SMILES COc1ccc2nc(NCc3ccc(cc3)C(=O)Nc3ccccc3N)sc2c1 Show InChI InChI=1S/C22H20N4O2S/c1-28-16-10-11-19-20(12-16)29-22(26-19)24-13-14-6-8-15(9-7-14)21(27)25-18-5-3-2-4-17(18)23/h2-12H,13,23H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1				Bioorg Med Chem Lett 18: 1502-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.057 BindingDB Entry DOI: 10.7270/Q2416WT0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50232653 (CHEMBL403467 | N-(2-aminophenyl)-4-((6-methoxybenz...) Show SMILES COc1ccc2nc(NCc3ccc(cc3)C(=O)Nc3ccccc3N)sc2c1 Show InChI InChI=1S/C22H20N4O2S/c1-28-16-10-11-19-20(12-16)29-22(26-19)24-13-14-6-8-15(9-7-14)21(27)25-18-5-3-2-4-17(18)23/h2-12H,13,23H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275				Bioorg Med Chem Lett 18: 1502-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.057 BindingDB Entry DOI: 10.7270/Q2416WT0
					More data for this Ligand-Target Pair