Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50217452'   

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))	BDBM50217452 (CHEMBL245006 | cis-4-{4-[3-(4-carboxyphenyl)ureido...) Show SMILES OC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](CC2)Oc2cccc(c2)C(O)=O)cc1 |wU:11.10,14.17,(-8.15,-12.39,;-7.32,-13.69,;-8.04,-15.06,;-5.78,-13.63,;-5.06,-12.26,;-3.53,-12.2,;-2.7,-13.51,;-1.16,-13.45,;-.45,-12.08,;-1.28,-10.78,;1.09,-12.02,;1.8,-10.66,;.99,-9.36,;1.71,-8,;3.25,-7.94,;4.07,-9.25,;3.36,-10.6,;3.98,-6.58,;5.52,-6.53,;6.23,-5.17,;7.76,-5.1,;8.59,-6.42,;7.87,-7.77,;6.33,-7.83,;8.69,-9.08,;7.98,-10.44,;10.23,-9.03,;-3.41,-14.87,;-4.95,-14.94,)| Show InChI InChI=1S/C21H22N2O6/c24-19(25)13-4-6-15(7-5-13)22-21(28)23-16-8-10-17(11-9-16)29-18-3-1-2-14(12-18)20(26)27/h1-7,12,16-17H,8-11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	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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