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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2A6' and Monomerid = 50159270   
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 2A6


(Homo sapiens (Human))
BDBM50159270
PNG
(2-Fluoro-naphthalene | 2-fluoronaphthalene | CHEMB...)
Show SMILES Fc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
PDB
MMDB

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CHEBI
CHEMBL
PC cid
PC sid
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Patents


Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of human CYP2A6


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 2A6


(Homo sapiens (Human))
BDBM50159270
PNG
(2-Fluoro-naphthalene | 2-fluoronaphthalene | CHEMB...)
Show SMILES Fc1ccc2ccccc2c1
Show InChI InChI=1S/C10H7F/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cytochrome P450 2A6


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