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BDBM50435135 CHEMBL2392740

SMILES: CCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C

InChI Key: InChIKey=DJRXZTPBXKMXJQ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50435135   
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))		BDBM50435135
PNG
(CHEMBL2392740)
Show SMILES CCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C |TLB:8:9:11:15.14.13,THB:9:10:13:18.17.16,9:17:11.10.15:13,16:17:11:15.14.13,16:14:11:18.9.17,(14.16,-17.48,;12.65,-17.82,;12.19,-19.28,;10.73,-19.77,;10.74,-21.32,;9.41,-22.1,;8.08,-21.33,;8.08,-19.79,;6.74,-22.1,;5.41,-21.32,;4.92,-22.75,;5.41,-24.23,;4.08,-23.09,;2.6,-23.18,;2.05,-21.85,;3.34,-22.83,;2.56,-20.43,;4.09,-20.37,;4.5,-21.74,;12.21,-21.78,;13.1,-20.52,;14.64,-20.51,)|
Show InChI InChI=1S/C17H26N4O/c1-3-21-10(2)4-15(20-21)18-17(22)19-16-13-6-11-5-12(8-13)9-14(16)7-11/h4,11-14,16H,3,5-9H2,1-2H3,(H2,18,19,20,22)
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Similars
Article
PubMed
n/an/a 2.46E+3n/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