Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM27773'   

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))	BDBM27773 (N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]d...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H32N4O/c29-25-12-11-24(22-5-2-1-3-6-22)19-26(25)31-27(33)23-9-7-21(8-10-23)20-32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,20,29H2,(H,31,33)	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	8	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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