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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2A5' and Ligand = 'BDBM50159259'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2A5


(Mus musculus)
BDBM50159259
PNG
(2,7-Dichloro-naphthalene | 2,7-dichloronaphthalene...)
Show SMILES Clc1ccc2ccc(Cl)cc2c1
Show InChI InChI=1S/C10H6Cl2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H
PDB
MMDB

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Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP2A5


Eur J Med Chem 44: 1941-51 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.010
BindingDB Entry DOI: 10.7270/Q2PZ5B1Z
More data for this
Ligand-Target Pair
Cytochrome P450 2A5


(Mus musculus)
BDBM50159259
PNG
(2,7-Dichloro-naphthalene | 2,7-dichloronaphthalene...)
Show SMILES Clc1ccc2ccc(Cl)cc2c1
Show InChI InChI=1S/C10H6Cl2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse cytochrome P450 2A5


J Med Chem 48: 440-9 (2005)


Article DOI: 10.1021/jm049536b
BindingDB Entry DOI: 10.7270/Q20C4WJV
More data for this
Ligand-Target Pair