Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50397359'   

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))	BDBM50397359 (CHEMBL2170173) Show SMILES COc1cc(COc2ccc(NC(=O)CCCCCCC(=O)OCCN=[N+]=[N-])cc2)cc(c1)N=[N+]=[N-] Show InChI InChI=1S/C24H29N7O5/c1-34-22-15-18(14-20(16-22)29-31-26)17-36-21-10-8-19(9-11-21)28-23(32)6-4-2-3-5-7-24(33)35-13-12-27-30-25/h8-11,14-16H,2-7,12-13,17H2,1H3,(H,28,32)	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	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...				Bioorg Med Chem Lett 22: 6621-7 (2012) Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR
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