Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50521295'   

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))	BDBM50521295 (CHEMBL4513805) Show SMILES Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClN3O2S/c1-14-12-17(28-13-21-25-19-4-2-3-5-20(19)29-21)10-11-18(14)26-22(27)24-16-8-6-15(23)7-9-16/h2-12H,13H2,1H3,(H2,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH preincubated for 10 mins followed by PHOME substrate addition and measured after 60 mins by fluorescence-based as...				ACS Med Chem Lett 10: 62-66 (2019) Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK
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