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SMILES: OC(=O)CCCCCCCCCn1ccnc1

InChI Key: InChIKey=DOJPUPKORVKCJK-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 92498   
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
Cytochrome P450 2E1


(Homo sapiens (Human))
BDBM92498
PNG
(Omega-imidazolyl decanoic acid)
Show SMILES OC(=O)CCCCCCCCCn1ccnc1
Show InChI InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)
PDB
MMDB

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PDB
Article
PubMed
n/an/an/a 9.00E+3n/an/an/an/an/a



The University of Kansas



Assay Description
Binding assay using CYP2E1.


J Biol Chem 285: 22282-90 (2010)


Article DOI: 10.1074/jbc.M110.109017
BindingDB Entry DOI: 10.7270/Q2FF3QZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)