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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2A6' and Ligand = 'BDBM50158931'   
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))
BDBM50158931
PNG
(4-Pyridin-3-yl-benzylamine | CHEMBL178946 | US8609...)
Show SMILES NCc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C12H12N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8,13H2
PDB
MMDB

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MCE
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Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6


J Med Chem 48: 224-39 (2005)


Article DOI: 10.1021/jm049696n
BindingDB Entry DOI: 10.7270/Q2T154DB
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50158931
PNG
(4-Pyridin-3-yl-benzylamine | CHEMBL178946 | US8609...)
Show SMILES NCc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C12H12N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H,8,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 8.60E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

US Patent


Assay Description
The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...


US Patent US8609708 (2013)


BindingDB Entry DOI: 10.7270/Q2PN9481
More data for this
Ligand-Target Pair