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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50435150'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50435150
PNG
(CHEMBL2392725)
Show SMILES CC(C)c1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)o1 |TLB:10:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
Show InChI InChI=1S/C16H24N4O2/c1-9(2)13-19-20-15(22-13)17-14(21)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,3-8H2,1-2H3,(H2,17,18,20,21)
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Similars
Article
PubMed
n/an/a 557n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...

Bioorg Med Chem 21: 2587-99 (2013)


Article DOI: 10.1016/j.bmc.2013.02.028
BindingDB Entry DOI: 10.7270/Q2DR2WXJ
More data for this
Ligand-Target Pair