Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50350812'   

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))	BDBM50350812 (CHEMBL1819140) Show SMILES ONC(=O)\C=C\c1ccc(CN(CCc2c[nH]c3ccccc23)CC(F)(F)F)cc1 Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)15-28(12-11-18-13-26-20-4-2-1-3-19(18)20)14-17-7-5-16(6-8-17)9-10-21(29)27-30/h1-10,13,26,30H,11-12,14-15H2,(H,27,29)/b10-9+	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	210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of HDAC1				J Med Chem 54: 4752-72 (2011) Article DOI: 10.1021/jm200388e BindingDB Entry DOI: 10.7270/Q23N24DW
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