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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50006878'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity for the cholecystokinin type A receptor in guinea pig pancreas assayed using [125I]-BH-CCK-8 as radioligand


J Med Chem 37: 3789-811 (1994)


BindingDB Entry DOI: 10.7270/Q2KK99TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity towards cholecystokinin-A (CCK-A) receptor in guinea pig pancreas


Bioorg Med Chem Lett 5: 1933-1936 (1995)


Article DOI: 10.1016/0960-894X(95)00327-P
BindingDB Entry DOI: 10.7270/Q22Z15H2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin-A (CCK-A) receptor in pancreas of guinea pig.


Bioorg Med Chem Lett 4: 2877-2882 (1994)


Article DOI: 10.1016/S0960-894X(01)80832-5
BindingDB Entry DOI: 10.7270/Q24B318F
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Cholecystokinin-8 binding to Cholecystokinin type A receptor of rat pancreatic membranes


Bioorg Med Chem Lett 7: 169-174 (1997)


Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas


Bioorg Med Chem Lett 3: 875-880 (1993)


Article DOI: 10.1016/S0960-894X(00)80684-8
BindingDB Entry DOI: 10.7270/Q21C1WTM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 736n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibition of [125I]-CCK binding to Cholecystokinin type A receptor from rat pancreatic tissues was determined


Bioorg Med Chem Lett 3: 1919-1924 (1993)


Article DOI: 10.1016/S0960-894X(01)80987-2
BindingDB Entry DOI: 10.7270/Q23J3CWD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 736n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to Cholecystokinin type A receptor receptor from rat pancreatic tissue.


J Med Chem 40: 2491-501 (1997)


Article DOI: 10.1021/jm9608523
BindingDB Entry DOI: 10.7270/Q2F47N84
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 736n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH CCK-8S from Cholecystokinin type A receptor in rat pancreas


Bioorg Med Chem Lett 5: 3023-3026 (1995)


Article DOI: 10.1016/0960-894X(95)00530-0
BindingDB Entry DOI: 10.7270/Q2VX0GGR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 736n/an/an/an/an/an/a



Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type A receptor in pancreatic tissue


J Med Chem 39: 842-9 (1996)


Article DOI: 10.1021/jm9506736
BindingDB Entry DOI: 10.7270/Q25T3JJC
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Binding affinity towards Cholecystokinin type A receptor (CCK-A) receptor from rat pancreas using [125I]-Bolton Hunter CCK-8 as radioligand


J Med Chem 41: 1042-9 (1998)


Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue


J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Mus musculus)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Cholecystokinin type A receptor


Bioorg Med Chem Lett 6: 1421-1426 (1996)


Article DOI: 10.1016/S0960-894X(96)00248-X
BindingDB Entry DOI: 10.7270/Q2251J56
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Mus musculus)
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Cholecystokinin type A receptor


Bioorg Med Chem Lett 6: 1427-1430 (1996)


Article DOI: 10.1016/S0960-894X(96)00249-1
BindingDB Entry DOI: 10.7270/Q2XD11NF
More data for this
Ligand-Target Pair