Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM158492'   

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))	BDBM158492 (US9029401, 2318) Show SMILES CC(C)(C)OC(=O)c1cc(O[C@@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccn1 |r,wD:14.17,11.10,(12.21,.77,;10.67,.77,;10.67,2.31,;10.67,-.77,;9.13,.77,;7.8,1.54,;7.8,3.08,;6.46,.77,;5.13,1.54,;3.79,.77,;2.46,1.54,;1.13,.77,;1.13,-.77,;-.21,-1.54,;-1.54,-.77,;-1.54,.77,;-.21,1.54,;-2.87,-1.54,;-4.21,-.77,;-4.21,.77,;-5.54,-1.54,;-6.87,-.77,;-6.87,.77,;-8.21,1.54,;-9.54,.77,;-10.88,1.54,;-9.54,-.77,;-8.21,-1.54,;-10.88,-1.54,;-12.21,-.77,;-10.88,-3.08,;-12.21,-2.31,;3.79,-.77,;5.13,-1.54,;6.46,-.77,)| Show InChI InChI=1S/C24H27ClF3N3O4/c1-23(2,3)35-21(32)20-13-17(10-11-29-20)34-16-7-4-14(5-8-16)30-22(33)31-15-6-9-19(25)18(12-15)24(26,27)28/h6,9-14,16H,4-5,7-8H2,1-3H3,(H2,30,31,33)/t14-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.				US Patent US9029401 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SR4
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