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BDBM50435134 CHEMBL2392718

SMILES: CCCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C

InChI Key: InChIKey=MZSJMBUEKNPGKA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50435134   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50435134
PNG
(CHEMBL2392718)
Show SMILES CCCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C |TLB:9:10:12:16.15.14,THB:10:11:14:19.18.17,10:18:12.11.16:14,17:18:12:16.15.14,17:15:12:19.10.18,(29.77,-16.54,;29.31,-18.01,;27.8,-18.34,;27.34,-19.81,;25.88,-20.3,;25.89,-21.85,;24.56,-22.63,;23.23,-21.86,;23.23,-20.32,;21.9,-22.63,;20.57,-21.85,;20.07,-23.28,;20.56,-24.76,;19.23,-23.62,;17.75,-23.71,;17.2,-22.38,;18.49,-23.36,;17.71,-20.96,;19.24,-20.9,;19.66,-22.27,;27.36,-22.3,;28.25,-21.05,;29.79,-21.04,)|
Show InChI InChI=1S/C18H28N4O/c1-3-4-22-11(2)5-16(21-22)19-18(23)20-17-14-7-12-6-13(9-14)10-15(17)8-12/h5,12-15,17H,3-4,6-10H2,1-2H3,(H2,19,20,21,23)
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Similars
Article
PubMed
n/an/a 936n/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