BDBM50265098 4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)benzoyl)piperazin-1-yl)-3-fluorobenzonitrile::CHEMBL497999

SMILES CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N

InChI Key InChIKey=IOSCQMWDOQVSFE-UHFFFAOYSA-N

Data  7 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50265098   

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

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataEC50:  16nMAssay Description:Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetSodium- and chloride-dependent glycine transporter 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataEC50:  16nMAssay Description:Inhibition of [3H]glycine uptake at human glycine transporter 1 expressed in CHO cells by scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataIC50: 600nMAssay Description:Inhibition of human ERG potassium channel by patch-clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataIC50: 600nMAssay Description:Inhibition of human ERG expressed in CHO cells by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataIC50: 2.91E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataIC50: 2.91E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataIC50: 2.91E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataIC50: 2.91E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataIC50: 2.91E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSodium- and chloride-dependent glycine transporter 2(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50265098(4-(4-(2-(cyclopropylmethoxy)-5-(methylsulfonyl)ben...)
Affinity DataEC50: >3.00E+4nMAssay Description:Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed