Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 4' and Ligand = 'BDBM50223506'   

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 4 (Homo sapiens (Human))	BDBM50223506 ((5S,11S,13aR)-5-butyl-8,8-dimethyl-11-[5-(pyridin-...) Show SMILES CCCC[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Show InChI InChI=1S/C27H41N5O4S2/c1-4-5-12-20-25(35)32-17-11-14-21(32)24(34)29-19(23(33)31-27(2,3)26(36)30-20)13-7-6-10-18-37-38-22-15-8-9-16-28-22/h8-9,15-16,19-21H,4-7,10-14,17-18H2,1-3H3,(H,29,34)(H,30,36)(H,31,33)/t19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of Life Science and Systems Engineering Curated by ChEMBL					Assay Description Inhibition of HDAC4 expressed in 293T cells				Bioorg Med Chem 16: 437-45 (2008) Article DOI: 10.1016/j.bmc.2007.09.021 BindingDB Entry DOI: 10.7270/Q2RJ4J77
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