Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50274230'   

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))	BDBM50274230 (CHEMBL4130292) Show SMILES CCC(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1 |TLB:3:4:7:11.10.9,THB: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/C21H30N2S/c1-2-18(22-20(24)23-19-6-4-3-5-7-19)14-21-11-15-8-16(12-21)10-17(9-15)13-21/h3-7,15-18H,2,8-14H2,1H3,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system using CMNPC as substrate preincubated for 5 mins followed by substrate...				Bioorg Med Chem Lett 28: 2302-2313 (2018) Article DOI: 10.1016/j.bmcl.2018.05.024 BindingDB Entry DOI: 10.7270/Q2222X8F
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