Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50380397'   

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))	BDBM50380397 (CHEMBL2018304) Show SMILES ONC(=O)c1ccc(Cn2c3CCNCc3c3ccccc23)cc1 Show InChI InChI=1S/C19H19N3O2/c23-19(21-24)14-7-5-13(6-8-14)12-22-17-4-2-1-3-15(17)16-11-20-10-9-18(16)22/h1-8,20,24H,9-12H2,(H,21,23)	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	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using RHKKAc peptide as substrate incubated for 5 to mins prior to substrate addition measured after 2 hrs				J Med Chem 55: 639-51 (2012) Article DOI: 10.1021/jm200773h BindingDB Entry DOI: 10.7270/Q2CJ8FG7
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