BDBM50303157 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy}-5-chlorobenzonitrile::CHEMBL572324

SMILES N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c4nc(N)ccc34)cc(F)c2Cl)c1

InChI Key InChIKey=JDKMJELQOXOOJD-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50303157   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratory

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50303157BDBM50303157(3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)meth...)
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratory

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50303157BDBM50303157(3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)meth...)
Affinity DataIC50: 1.03E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratory

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50303157BDBM50303157(3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)meth...)
Affinity DataIC50: 4.74E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed