Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50475498'   

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))	BDBM50475498 (CHEMBL558588) Show SMILES Br.CC(C)(C)c1ccc(CNCCCCNCCCNC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C24H42N4O3/c1-24(2,3)21-13-11-20(12-14-21)19-26-16-7-6-15-25-17-8-18-27-22(29)9-4-5-10-23(30)28-31/h11-14,25-26,31H,4-10,15-19H2,1-3H3,(H,27,29)(H,28,30)	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	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Histone deacetylase (HDAC) at 1 uM concentration				J Med Chem 48: 6350-65 (2005) Article DOI: 10.1021/jm0505009 BindingDB Entry DOI: 10.7270/Q2KW5JSP
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