Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM50499957'   

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))	BDBM50499957 (CHEMBL3739529) Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Geneva Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) by fluorimetric assay				Bioorg Med Chem Lett 26: 154-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.011 BindingDB Entry DOI: 10.7270/Q2BK1GCP
					More data for this Ligand-Target Pair