Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50454623'   

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))	BDBM50454623 (CHEMBL4213817) Show SMILES CC(C)OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:11.10,wD:14.17,(26.92,-41.02,;25.58,-41.79,;25.58,-43.33,;24.25,-41.01,;22.92,-41.78,;22.91,-43.32,;21.58,-41.01,;20.24,-41.78,;18.91,-41.01,;18.92,-39.47,;17.59,-38.69,;16.26,-39.46,;16.25,-41,;14.92,-41.77,;13.59,-40.99,;13.58,-39.46,;14.92,-38.69,;12.26,-41.76,;10.93,-41,;10.92,-39.46,;9.59,-41.77,;8.26,-41,;6.92,-41.77,;5.59,-41,;5.59,-39.46,;4.26,-38.69,;4.26,-37.15,;4.25,-35.75,;5.5,-36.13,;3.01,-36.13,;6.92,-38.69,;8.25,-39.45,;20.25,-38.7,;21.58,-39.46,)| Show InChI InChI=1S/C24H27F3N2O5/c1-15(2)32-22(30)16-3-9-19(10-4-16)33-20-11-5-17(6-12-20)28-23(31)29-18-7-13-21(14-8-18)34-24(25,26)27/h3-4,7-10,13-15,17,20H,5-6,11-12H2,1-2H3,(H2,28,29,31)/t17-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
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