Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50278152'   

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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50278152 (CHEMBL471241 | N-isopentyl-1-(mesitylsulfonyl)pipe...) Show SMILES CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C20H32N2O3S/c1-14(2)6-9-21-20(23)18-7-10-22(11-8-18)26(24,25)19-16(4)12-15(3)13-17(19)5/h12-14,18H,6-11H2,1-5H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of epoxide hydrolase (unknown origin)				Bioorg Med Chem Lett 19: 2354-9 (2009) Article DOI: 10.1016/j.bmcl.2008.09.066 BindingDB Entry DOI: 10.7270/Q2J10322
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