Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase (HDAC1 and HDAC2)' and Ligand = 'BDBM50480997'   

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))	BDBM50480997 (CHEMBL566697) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCCC(C)C Show InChI InChI=1S/C22H28N2O5/c1-15(2)12-13-29-19-10-4-16(14-20(19)28-3)5-11-21(25)23-18-8-6-17(7-9-18)22(26)24-27/h4,6-10,14-15,27H,5,11-13H2,1-3H3,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+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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