BDBM50443621 CHEMBL3092421

SMILES Fc1cc(ccc1-c1ccn2ccnc2c1)N1C[C@H](Cn2ccnn2)OC1=O

InChI Key InChIKey=URBPETAAWZXGNX-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50443621   

TargetCytochrome P450 1A2(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50443621(CHEMBL3092421)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50443621(CHEMBL3092421)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2D6 assessed as dextromethorphan O-demethylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50443621(CHEMBL3092421)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C9 assessed as tolbutamide hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed