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 = 'BDBM50507254'   

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))	BDBM50507254 (CHEMBL4526647) Show SMILES ONC(=O)CCCCCN1C(=O)c2cccc3c(Nc4ccccc4)ccc(C1=O)c23 Show InChI InChI=1S/C24H23N3O4/c28-21(26-31)12-5-2-6-15-27-23(29)18-11-7-10-17-20(25-16-8-3-1-4-9-16)14-13-19(22(17)18)24(27)30/h1,3-4,7-11,13-14,25,31H,2,5-6,12,15H2,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	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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