Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50474343'   

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))	BDBM50474343 (CHEMBL139663) Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2cnc3ccccc3c2)cc1 Show InChI InChI=1S/C21H21N3O2/c25-21(24-26)10-9-16-5-7-17(8-6-16)14-22-12-11-18-13-19-3-1-2-4-20(19)23-15-18/h1-10,13,15,22,26H,11-12,14H2,(H,24,25)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
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