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BDBM50351239 CHEMBL1818393

SMILES: O=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C#N

InChI Key: InChIKey=NLNMNNBSWZYUCM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50351239   
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))		BDBM50351239
PNG
(CHEMBL1818393)
Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C#N |TLB:12:11:9:5.6.7,THB:2:3:9:5.6.7,12:6:3.11.10:9,7:6:3:10.8.9,7:8:3:5.12.6,(-.96,-25.63,;-.96,-27.17,;.38,-27.94,;1.71,-27.17,;2.9,-25.89,;4.22,-26.38,;5.62,-26.04,;5.64,-24.51,;4.23,-23.93,;2.89,-24.41,;3.19,-25.16,;3.2,-26.75,;4.61,-27.31,;-2.29,-27.94,;-3.63,-27.17,;-4.96,-27.94,;-6.3,-27.17,;-6.29,-25.63,;-4.97,-24.86,;-3.63,-25.62,;-7.64,-24.85,;-8.97,-24.09,)|
Show InChI InChI=1S/C18H21N3O/c19-10-11-1-3-16(4-2-11)20-18(22)21-17-14-6-12-5-13(8-14)9-15(17)7-12/h1-4,12-15,17H,5-9H2,(H2,20,21,22)
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Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay

Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair