Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50475492'   

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))	BDBM50475492 (CHEMBL199276) Show SMILES OC(=O)C(F)(F)F.CN(C)c1ccc(CNCCCCNC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C19H32N4O3/c1-23(2)17-11-9-16(10-12-17)15-20-13-5-6-14-21-18(24)7-3-4-8-19(25)22-26/h9-12,20,26H,3-8,13-15H2,1-2H3,(H,21,24)(H,22,25)	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	8.97E+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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