Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50038781'   

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 (Homo sapiens (Human))	BDBM50038781 (CHEMBL3354911) Show SMILES ONC(=O)\C=C\c1cccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCCc2ccccc2)c1 |r| Show InChI InChI=1S/C30H31N3O4/c34-29(15-7-10-22-8-2-1-3-9-22)32-25(19-24-20-31-28-14-5-4-13-27(24)28)21-37-26-12-6-11-23(18-26)16-17-30(35)33-36/h1-6,8-9,11-14,16-18,20,25,31,36H,7,10,15,19,21H2,(H,32,34)(H,33,35)/b17-16+/t25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	499	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cell extract using Boc-Lys (acetyl)-AMC as substrate incubated for 10 mins prior to substrate addition measured afte...				Eur J Med Chem 89: 628-37 (2014) Article DOI: 10.1016/j.ejmech.2014.10.077 BindingDB Entry DOI: 10.7270/Q2NG4S8Z
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