Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50226116'   

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))	BDBM50226116 (4-((1-(4-methoxybenzyl)-2,4-dioxo-1,2-dihydroquina...) Show SMILES COc1ccc(Cn2c3ccccc3c(=O)n(Cc3ccc(cc3)C(=O)Nc3ccccc3N)c2=O)cc1 Show InChI InChI=1S/C30H26N4O4/c1-38-23-16-12-21(13-17-23)18-33-27-9-5-2-6-24(27)29(36)34(30(33)37)19-20-10-14-22(15-11-20)28(35)32-26-8-4-3-7-25(26)31/h2-17H,18-19,31H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in insect Sf9 cells				Bioorg Med Chem Lett 17: 6729-33 (2007) Article DOI: 10.1016/j.bmcl.2007.10.050 BindingDB Entry DOI: 10.7270/Q2V124J9
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