Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM19417'   

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))	BDBM19417 (N-[2-amino-5-(furan-3-yl)phenyl]-4-{[(3,4-dimethox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccoc2)cc1OC Show InChI InChI=1S/C26H25N3O4/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	50	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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