Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50454633'   

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))	BDBM50454633 (CHEMBL4206149) Show SMILES OCCNC(=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,(55.98,-29.23,;54.65,-28.46,;53.32,-29.23,;51.98,-28.46,;50.65,-29.23,;50.65,-30.77,;49.32,-28.46,;47.98,-29.23,;46.65,-28.45,;46.66,-26.91,;45.33,-26.14,;43.99,-26.91,;43.99,-28.45,;42.66,-29.21,;41.33,-28.44,;41.32,-26.9,;42.66,-26.14,;40,-29.21,;38.66,-28.44,;38.66,-26.9,;37.33,-29.21,;35.99,-28.45,;34.66,-29.22,;33.32,-28.45,;33.32,-26.9,;31.99,-26.13,;31.99,-24.59,;31.99,-23.19,;33.24,-23.58,;30.74,-23.58,;34.65,-26.13,;35.99,-26.9,;47.98,-26.14,;49.32,-26.91,)| Show InChI InChI=1S/C23H26F3N3O5/c24-23(25,26)34-20-11-5-17(6-12-20)29-22(32)28-16-3-9-19(10-4-16)33-18-7-1-15(2-8-18)21(31)27-13-14-30/h1-2,5-8,11-12,16,19,30H,3-4,9-10,13-14H2,(H,27,31)(H2,28,29,32)/t16-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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
					More data for this Ligand-Target Pair