Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50123976'   

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))	BDBM50123976 (3-[4-(Biphenyl-4-sulfonylamino)-phenyl]-acrylic ac...) Show SMILES OC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C21H17NO4S/c23-21(24)15-8-16-6-11-19(12-7-16)22-27(25,26)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,22H,(H,23,24)/b15-8+	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	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibitory activity on partially purified recombinant human Histone deacetylase 1 (HDAC-1)				J Med Chem 46: 820-30 (2003) Article DOI: 10.1021/jm020377a BindingDB Entry DOI: 10.7270/Q22V2FG8
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