Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50274269'   

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))	BDBM50274269 (CHEMBL4127203) Show SMILES S=C(NC1C2CC3CC(C2)CC1C3)NC12CC3CC(CC(C3)C1)C2 |TLB:9:4:7.8.10:12,9:8:12:5.4.3,13:14:17:21.20.19,THB:22:14:17:21.20.19,22:20:17:23.15.14,2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.4.9,15:16:19:23.14.22,15:14:17.16.21:19,(75.74,-5.32,;75.74,-6.86,;77.07,-7.63,;78.41,-6.86,;79.65,-7.78,;80.78,-6.87,;81.19,-5.51,;82.94,-5.34,;81.69,-6.28,;81.28,-7.76,;80.43,-5.31,;78.81,-5.38,;80.01,-4.6,;74.4,-7.63,;73.07,-6.86,;72.06,-8.15,;70.64,-7.58,;69.13,-8.01,;70.33,-6.72,;70.32,-5.22,;71.67,-4.74,;70.63,-5.99,;73.09,-5.32,;71.66,-7.21,)| Show InChI InChI=1S/C21H32N2S/c24-20(22-19-17-5-12-1-13(7-17)8-18(19)6-12)23-21-9-14-2-15(10-21)4-16(3-14)11-21/h12-19H,1-11H2,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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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