Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50259810'   

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 2 (Homo sapiens (Human))	BDBM50259810 (CHEMBL4098353) Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C28H26N2O6/c1-34-24-14-20(15-25(35-2)28(24)36-3)27(32)22-17-30(23-7-5-4-6-21(22)23)16-19-10-8-18(9-11-19)12-13-26(31)29-33/h4-15,17,33H,16H2,1-3H3,(H,29,31)/b13-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 using fluorogenic substrate by fluorescence assay				Eur J Med Chem 125: 1268-1278 (2017) Article DOI: 10.1016/j.ejmech.2016.11.033 BindingDB Entry DOI: 10.7270/Q2XD145D
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