BDBM50170765 CHEMBL363916::[(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahydro-pyrido[1,2-c]pyrimidin-5-ylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12

InChI Key InChIKey=WLMUGDGQTTUWEC-UHFFFAOYSA-N

Data  15 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 15 hits for monomerid = 50170765   

TargetCholecystokinin receptor type A(Rat)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 11.8nMAssay Description:Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R197M)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 27.5nMAssay Description:Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S342A)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 183nMAssay Description:Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329F)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 7.30nMAssay Description:Inhibition of CCK-Induced inositol phosphate production in Cos-7 cells expressing human CCK1RMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 2.06E+3nMAssay Description:Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R336M)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 129nMAssay Description:Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329A)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 5.70nMAssay Description:Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S348A)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 31.5nMAssay Description:Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (F107A)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 5.80nMAssay Description:Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (M195L)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Rat)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 0.0900nMAssay Description:Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 28.4nMAssay Description:Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (T117A)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Human)
Instituto De QuíMica MéDica (Csic)

Curated by ChEMBL
LigandPNGBDBM50170765([(S)-1-((4aS,5R)-2-Benzyl-1-mercapto-3-oxo-octahyd...)
Affinity DataIC50: 831nMAssay Description:Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I352A)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed