Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50299997'   

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 1 (Homo sapiens (Human))	BDBM50299997 (2,2,2-Trifluoro-1-[5-(4-methoxyphenyl)thiophen-2-y...) Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)C(F)(F)F Show InChI InChI=1S/C13H9F3O2S/c1-18-9-4-2-8(3-5-9)10-6-7-11(19-10)12(17)13(14,15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Di Ricerche Di Biologia Molecolare Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 52: 6782-9 (2009) Article DOI: 10.1021/jm900555u BindingDB Entry DOI: 10.7270/Q2J966F8
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