Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase (HDAC1 and HDAC2)' and Ligand = 'BDBM50481003'   

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 (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481003 (CHEMBL567971) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H23N3O5/c1-30-21-14-16(5-11-20(21)31-15-19-4-2-3-13-24-19)6-12-22(27)25-18-9-7-17(8-10-18)23(28)26-29/h2-5,7-11,13-14,29H,6,12,15H2,1H3,(H,25,27)(H,26,28)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
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