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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM7884'   
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 3A4


(Homo sapiens (Human))
BDBM7884
PNG
(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Show SMILES Cn1ccnc1
Show InChI InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
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PC sid
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Patents

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...


US Patent US9138393 (2015)


BindingDB Entry DOI: 10.7270/Q2GF0S8J
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM7884
PNG
(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Show SMILES Cn1ccnc1
Show InChI InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
PDB
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MCE
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PC sid
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Patents

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...


US Patent US9144538 (2015)


BindingDB Entry DOI: 10.7270/Q22806DV
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM7884
PNG
(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Show SMILES Cn1ccnc1
Show InChI InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.70E+6n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Eur J Med Chem 44: 2913-22 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.004
BindingDB Entry DOI: 10.7270/Q2NC6174
More data for this
Ligand-Target Pair