Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50275887'   

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))	BDBM50275887 (CHEMBL470582 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CS(=O)(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C25H29N5O3S2/c1-35(32,33)30-13-10-25(17-30)8-11-29(12-9-25)23-7-5-19(16-27-23)24(31)28-21-15-18(4-6-20(21)26)22-3-2-14-34-22/h2-7,14-16H,8-13,17,26H2,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in mammalian cells				Bioorg Med Chem Lett 18: 6104-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.052 BindingDB Entry DOI: 10.7270/Q23R0SQ2
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