Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM19415'   

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))	BDBM19415 (N-(2-amino-5-phenylphenyl)-4-{[(3,4-dimethoxypheny...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cc1OC Show InChI InChI=1S/C28H27N3O3/c1-33-26-15-13-23(17-27(26)34-2)30-18-19-8-10-21(11-9-19)28(32)31-25-16-22(12-14-24(25)29)20-6-4-3-5-7-20/h3-17,30H,18,29H2,1-2H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
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