BDBM50332373 (S)-(5-chloroisoindolin-2-yl)(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)methanone::CHEMBL1631007

SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(Cl)cc2C1)S(C)(=O)=O)C(F)(F)F

InChI Key InChIKey=NKRSPRREAOOIMI-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  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 5 hits for monomerid = 50332373   

TargetSodium- and chloride-dependent glycine transporter 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50332373((S)-(5-chloroisoindolin-2-yl)(5-(methylsulfonyl)-2...)
Affinity DataEC50:  135nMAssay Description:Inhibition of human GlyT1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed
TargetSodium- and chloride-dependent glycine transporter 2(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50332373((S)-(5-chloroisoindolin-2-yl)(5-(methylsulfonyl)-2...)
Affinity DataEC50:  3.00E+4nMAssay Description:Inhibition of human GlyT2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50332373((S)-(5-chloroisoindolin-2-yl)(5-(methylsulfonyl)-2...)
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50332373((S)-(5-chloroisoindolin-2-yl)(5-(methylsulfonyl)-2...)
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50332373((S)-(5-chloroisoindolin-2-yl)(5-(methylsulfonyl)-2...)
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2011
Entry Details Article
PubMed