Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50257078'   

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))	BDBM50257078 (CHEMBL474863 | N2-(2-aminophenyl)-N5-(3-(4-(pyridi...) Show SMILES Nc1ccccc1NC(=O)c1ccc(cn1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C27H21N7O2S/c28-21-8-1-2-9-22(21)34-26(36)23-11-10-18(15-30-23)25(35)32-19-6-3-7-20(13-19)33-27-31-16-24(37-27)17-5-4-12-29-14-17/h1-16H,28H2,(H,31,33)(H,32,35)(H,34,36)	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	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in HEK293 cells				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
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