Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50314635'   

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))	BDBM50314635 ((E)-N-Hydroxy-3-{4-[3-(1H-indol-3-yl)piperidin-1-y...) Show SMILES ONC(=O)\C=C\c1ccc(CN2CCCC(C2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C23H25N3O2/c27-23(25-28)12-11-17-7-9-18(10-8-17)15-26-13-3-4-19(16-26)21-14-24-22-6-2-1-5-20(21)22/h1-2,5-12,14,19,24,28H,3-4,13,15-16H2,(H,25,27)/b12-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged HDAC1 expressed in HEK293 cells by fluorescent assay				J Med Chem 53: 2952-63 (2010) Article DOI: 10.1021/jm100007m BindingDB Entry DOI: 10.7270/Q20V8CZC
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