Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50351218'   

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))	BDBM50351218 (CHEMBL1818412) Show SMILES Fc1ccc(NC(=O)OC2C3CC4CC(C3)CC2C4)c(F)c1F |TLB:8:9:11:15.14.13,THB:9:10:13:18.17.16,9:17:11.10.15:13,16:17:11:15.14.13,16:14:11:18.9.17,(36.71,-28.86,;35.38,-29.63,;34.03,-28.86,;32.7,-29.64,;32.71,-31.17,;31.38,-31.95,;30.04,-31.17,;30.04,-29.63,;28.7,-31.95,;27.44,-31.07,;25.99,-31.55,;25.13,-32.84,;25.21,-31.09,;24.24,-29.96,;24.96,-28.73,;24.96,-30.35,;26.4,-28.26,;27.38,-29.44,;26.54,-30.61,;34.04,-31.95,;34.04,-33.49,;35.38,-31.18,;36.71,-31.95,)| Show InChI InChI=1S/C17H18F3NO2/c18-12-1-2-13(15(20)14(12)19)21-17(22)23-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	464	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
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