Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50217457'   

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))	BDBM50217457 (CHEMBL397694 | trans-1-adamantan-1-yl-3-[4-(4-nitr...) Show SMILES [O-][N+](=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |wU:8.7,wD:11.14,TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23,(18.29,-12.77,;17.47,-11.46,;18.19,-10.1,;15.92,-11.52,;15.2,-12.88,;13.66,-12.94,;12.85,-11.63,;11.31,-11.69,;10.59,-13.05,;11.4,-14.35,;10.69,-15.71,;9.14,-15.76,;8.32,-14.47,;9.05,-13.1,;8.43,-17.13,;6.89,-17.19,;6.06,-15.89,;6.17,-18.55,;4.63,-18.61,;3.62,-19.89,;2.21,-19.33,;.71,-19.75,;1.91,-18.47,;1.9,-16.98,;3.24,-16.51,;2.2,-17.74,;4.64,-17.09,;3.23,-18.96,;13.56,-10.27,;15.1,-10.21,)| Show InChI InChI=1S/C23H31N3O4/c27-22(25-23-12-15-9-16(13-23)11-17(10-15)14-23)24-18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)26(28)29/h3-4,7-8,15-18,20H,1-2,5-6,9-14H2,(H2,24,25,27)/t15?,16?,17?,18-,20-,23?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.640	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				J Med Chem 50: 3825-40 (2007) Article DOI: 10.1021/jm070270t BindingDB Entry DOI: 10.7270/Q2TQ62BW
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