Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50276224'   

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))	BDBM50276224 (4-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-...) Show SMILES O=C(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(OCc2ccccc2)cc1 |TLB:3:4:7.6.11:9,THB:3:4:7:11.10.9,5:6:9:13.4.12,5:4:7.6.11:9,12:4:7:11.10.9,12:10:7:13.5.4| Show InChI InChI=1S/C29H35NO3/c31-27(10-12-29-17-23-14-24(18-29)16-25(15-23)19-29)28(32)30-13-11-21-6-8-26(9-7-21)33-20-22-4-2-1-3-5-22/h1-9,23-25H,10-20H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	685	n/a	n/a	n/a	n/a	n/a	n/a
Arête Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase (unknown origin) by fluorescence assay				Bioorg Med Chem Lett 19: 1066-70 (2009) Article DOI: 10.1016/j.bmcl.2009.01.013 BindingDB Entry DOI: 10.7270/Q2C24WBG
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