Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50192989'   

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))	BDBM50192989 ((S)-2-((S)-2-(6-(3-cyclohexylureido)hexanamido)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(O)=O Show InChI InChI=1S/C27H42N4O5S/c1-37-18-16-22(26(34)35)31-25(33)23(19-20-11-5-2-6-12-20)30-24(32)15-9-4-10-17-28-27(36)29-21-13-7-3-8-14-21/h2,5-6,11-12,21-23H,3-4,7-10,13-19H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H2,28,29,36)/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble Epoxide hydrolase				Bioorg Med Chem Lett 16: 5439-44 (2006) Article DOI: 10.1016/j.bmcl.2006.07.073 BindingDB Entry DOI: 10.7270/Q2183643
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