Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50296216'   

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))	BDBM50296216 (2-Adamantan-1-yl-N-[4-fluoro-3-(3-morpholin-4-yl-p...) Show SMILES Fc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1OCCCN1CCOCC1 |TLB:8:9:12:16.15.14,THB:10:11:14:18.9.17,10:9:12.11.16:14,17:9:12:16.15.14,17:15:12:18.10.9| Show InChI InChI=1S/C25H35FN2O3/c26-22-3-2-21(13-23(22)31-7-1-4-28-5-8-30-9-6-28)27-24(29)17-25-14-18-10-19(15-25)12-20(11-18)16-25/h2-3,13,18-20H,1,4-12,14-17H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Arete Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase by fluorescent endpoint assay				Bioorg Med Chem Lett 19: 4259-63 (2009) Article DOI: 10.1016/j.bmcl.2009.05.102 BindingDB Entry DOI: 10.7270/Q2VQ32Q0
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