Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50222453'   

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))	BDBM50222453 (CHEMBL137695) Show SMILES O=C(CCCCCCC(=O)c1ccccn1)Nc1ccccc1 Show InChI InChI=1S/C19H22N2O2/c22-18(17-12-8-9-15-20-17)13-6-1-2-7-14-19(23)21-16-10-4-3-5-11-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,21,23)	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	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description In vitro inhibitory activity against histone deacetylase (HDAC) isolated from HeLa nuclear extract				Bioorg Med Chem Lett 13: 4321-6 (2003) BindingDB Entry DOI: 10.7270/Q2Q81G8N
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