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BDBM50435169 CHEMBL2392751

SMILES: O=C(Nc1ccncn1)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=ASDPKGVXTPRBSD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50435169   
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))
BDBM50435169
PNG
(CHEMBL2392751)
Show SMILES O=C(Nc1ccncn1)NC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.16.15,THB:18:10:13:17.16.15,18:16:13:19.11.10,11:12:15:19.10.18,11:10:13.12.17:15|
Show InChI InChI=1S/C15H20N4O/c20-14(18-13-1-2-16-9-17-13)19-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H2,16,17,18,19,20)
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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 775n/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