BDBM50024321 3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::AY-6608::CHEMBL1328::ICI-50123::PENTAGASTRIN::Peptavlon

SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key InChIKey=NEYNJQRKHLUJRU-UHFFFAOYSA-N

Data  4 KI  10 IC50  2 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 16 hits for monomerid = 50024321   

TargetGastrin/cholecystokinin type B receptor(Mouse)
Parke-Davis Neuroscience Research Centre

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Rat)
Parke-Davis Neuroscience Research Centre

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 600nMAssay Description:Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2012
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
Rotta Research Laboratorium

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 6.00E+3nMAssay Description:Concentration required to inhibit by 50% the specific binding of [3H]pentagastrin to cholecystokinin type B receptor in rabbit gastric glandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Rat)
Rotta Research Laboratorium

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 6.80nMAssay Description:Concentration required to inhibit by 50% the specific binding of [125I](BH)-CCK-8 to CCK-B(B2) in rat brain cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Rat)
Parke-Davis Neuroscience Research Centre

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 1.75E+3nMAssay Description:Inhibition of [125I](BH)-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic acini; InactiveMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Mouse)
Parke-Davis Neuroscience Research Centre

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 0.800nMAssay Description:Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Rat)
Parke-Davis Neuroscience Research Centre

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 600nMAssay Description:Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreasMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Mouse)
Parke-Davis Neuroscience Research Centre

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 0.800nMAssay Description:Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetCholecystokinin receptor type A(Rat)
Parke-Davis Neuroscience Research Centre

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 600nMAssay Description:Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2012
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
Rotta Research Laboratorium

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataIC50: 1nMAssay Description:Displacement of [125I][3-iodo Tyr12,Leu15]gastrin-I from human CCK2R expressed in human A431 cells measured after 1 hr by gamma counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
Rotta Research Laboratorium

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataEC50:  2.80nMAssay Description:Agonist activity at human CCK2R expressed in human A431 cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye ba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Rat)
Rotta Research Laboratorium

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataEC50:  0.430nMAssay Description:Agonist activity at rat CCK2R expressed in rat AR42J cells assessed as intracellular calcium mobilization measured after 24 hrs by Fluo-4AM dye based...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetGastrin/cholecystokinin type B receptor(Human)
Rotta Research Laboratorium

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataKi:  15nMAssay Description:Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetGastrin/cholecystokinin type B receptor(Human)
Rotta Research Laboratorium

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataKi:  22nMAssay Description:The compound was evaluated for the inhibition of binding of [3H]-PD 140376 to Cholecystokinin type B receptor in guinea pig cortex.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetGastrin/cholecystokinin type B receptor(Human)
Rotta Research Laboratorium

Curated by ChEMBL
LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataKi:  52nMAssay Description:Inhibition of binding of [125I]-PD 142251 to CCK-B receptor was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

LigandPNGBDBM50024321(CHEMBL1328 | Peptavlon | ICI-50123 | 3-{2-[2-(3-te...)
Affinity DataKi:  6.00E+8nMAssay Description:Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2018
Entry Details Article
PubMed