Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)' and Ligand = 'BDBM50507253'   

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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50507253 (CHEMBL4567832) Show SMILES CN(Cc1ccccc1)c1ccc2C(=O)N(CCCCCC(=O)NO)C(=O)c3cccc1c23 Show InChI InChI=1S/C26H27N3O4/c1-28(17-18-9-4-2-5-10-18)22-15-14-21-24-19(22)11-8-12-20(24)25(31)29(26(21)32)16-7-3-6-13-23(30)27-33/h2,4-5,8-12,14-15,33H,3,6-7,13,16-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Deakin University Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				Eur J Med Chem 162: 321-333 (2019) Article DOI: 10.1016/j.ejmech.2018.11.020 BindingDB Entry DOI: 10.7270/Q2JQ14BB
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