Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM27761'   

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))	BDBM27761 (N-(2-hydroxy-5-phenylphenyl)-4-({[1-(pyridin-4-yl)...) Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C27H25N3O2/c1-19(21-13-15-28-16-14-21)29-18-20-7-9-23(10-8-20)27(32)30-25-17-24(11-12-26(25)31)22-5-3-2-4-6-22/h2-17,19,29,31H,18H2,1H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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