BDBM50433324 CHEMBL2375371

SMILES c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br

InChI Key InChIKey=ONNNBBBPFLLYHY-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50433324   

TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50433324(CHEMBL2375371)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50433324(CHEMBL2375371)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50433324(CHEMBL2375371)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Boehringer Ingelheim (Canada)

Curated by ChEMBL
LigandPNGBDBM50433324(CHEMBL2375371)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/12/2014
Entry Details Article
PubMed