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 = 'BDBM50531335'   

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))	BDBM50531335 (CHEMBL4586891) Show SMILES ONC(=O)CCCCCn1cc(nn1)-c1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C29H26N4O5S/c34-21-11-9-20(10-12-21)29-27(23-14-13-22(35)16-25(23)39-29)28(37)19-7-5-18(6-8-19)24-17-33(32-30-24)15-3-1-2-4-26(36)31-38/h5-14,16-17,34-35,38H,1-4,15H2,(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian CSIR-Central Drug Research Institute 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 158: 620-706 (2018) Article DOI: 10.1016/j.ejmech.2018.08.073 BindingDB Entry DOI: 10.7270/Q2HT2STK
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