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PubMed code 8145220

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040674
PNG
(1-((S)-1-Isobutyl-2-oxo-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CC(C)CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C27H26N8O2/c1-17(2)16-35-22-11-7-6-10-21(22)23(18-8-4-3-5-9-18)29-25(26(35)36)30-27(37)28-20-14-12-19(13-15-20)24-31-33-34-32-24/h3-15,17,25H,16H2,1-2H3,(H2,28,30,37)(H,31,32,33,34)/t25-/m1/s1
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n/an/a 0.142n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040678
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H20N6O4/c1-31-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)27-22(23(31)32)28-24(33)26-17-13-11-16(12-14-17)21-29-25(34)35-30-21/h2-14,22H,1H3,(H2,26,28,33)(H,29,30,34)/t22-/m1/s1
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n/an/a 0.266n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040679
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H20N8O2/c1-32-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-22(23(32)33)27-24(34)25-17-13-11-16(12-14-17)21-28-30-31-29-21/h2-14,22H,1H3,(H2,25,27,34)(H,28,29,30,31)/t22-/m1/s1
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n/an/a 1.02n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50040680
PNG
(1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H20N8O2/c1-32-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-22(23(32)33)27-24(34)25-17-13-11-16(12-14-17)21-28-30-31-29-21/h2-14,22H,1H3,(H2,25,27,34)(H,28,29,30,31)/t22-/m0/s1
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n/an/a 6.16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50453549
PNG
(CHEMBL2112932)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H20N4O4/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-24(32)25-17-13-11-16(12-14-17)23(30)31/h2-14,21H,1H3,(H,30,31)(H2,25,27,32)/t21-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040676
PNG
(1-((S)-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-/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50040677
PNG
(1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H20N6O4/c1-31-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)27-22(23(31)32)28-24(33)26-17-13-11-16(12-14-17)21-29-25(34)35-30-21/h2-14,22H,1H3,(H2,26,28,33)(H,29,30,34)/t22-/m0/s1
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n/an/a 15.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040675
PNG
(1-((R)-1-Isobutyl-2-oxo-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CC(C)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C27H26N8O2/c1-17(2)16-35-22-11-7-6-10-21(22)23(18-8-4-3-5-9-18)29-25(26(35)36)30-27(37)28-20-14-12-19(13-15-20)24-31-33-34-32-24/h3-15,17,25H,16H2,1-2H3,(H2,28,30,37)(H,31,32,33,34)/t25-/m0/s1
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n/an/a 23.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040677
PNG
(1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H20N6O4/c1-31-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)27-22(23(31)32)28-24(33)26-17-13-11-16(12-14-17)21-29-25(34)35-30-21/h2-14,22H,1H3,(H2,26,28,33)(H,29,30,34)/t22-/m0/s1
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n/an/a 56.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50040680
PNG
(1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H20N8O2/c1-32-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-22(23(32)33)27-24(34)25-17-13-11-16(12-14-17)21-28-30-31-29-21/h2-14,22H,1H3,(H2,25,27,34)(H,28,29,30,31)/t22-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type B receptor from rat pancreatic tissue using [125]BH CCK-8 as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50040675
PNG
(1-((R)-1-Isobutyl-2-oxo-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CC(C)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C27H26N8O2/c1-17(2)16-35-22-11-7-6-10-21(22)23(18-8-4-3-5-9-18)29-25(26(35)36)30-27(37)28-20-14-12-19(13-15-20)24-31-33-34-32-24/h3-15,17,25H,16H2,1-2H3,(H2,28,30,37)(H,31,32,33,34)/t25-/m0/s1
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n/an/a 379n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50040679
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H20N8O2/c1-32-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-22(23(32)33)27-24(34)25-17-13-11-16(12-14-17)21-28-30-31-29-21/h2-14,22H,1H3,(H2,25,27,34)(H,28,29,30,31)/t22-/m1/s1
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n/an/a 577n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreatic tissue using [125]BH CCK-A as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50040676
PNG
(1-((S)-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-/m1/s1
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n/an/a 736n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50040678
PNG
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nc(=O)o[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H20N6O4/c1-31-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)27-22(23(31)32)28-24(33)26-17-13-11-16(12-14-17)21-29-25(34)35-30-21/h2-14,22H,1H3,(H2,26,28,33)(H,29,30,34)/t22-/m1/s1
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n/an/a 983n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50040674
PNG
(1-((S)-1-Isobutyl-2-oxo-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CC(C)CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccc(cc2)-c2nnn[nH]2)C1=O)c1ccccc1 |c:12|
Show InChI InChI=1S/C27H26N8O2/c1-17(2)16-35-22-11-7-6-10-21(22)23(18-8-4-3-5-9-18)29-25(26(35)36)30-27(37)28-20-14-12-19(13-15-20)24-31-33-34-32-24/h3-15,17,25H,16H2,1-2H3,(H2,28,30,37)(H,31,32,33,34)/t25-/m1/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreatic tissue using [125]BH CCK-A as radioligand

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50453549
PNG
(CHEMBL2112932)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)C(O)=O)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H20N4O4/c1-28-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)26-21(22(28)29)27-24(32)25-17-13-11-16(12-14-17)23(30)31/h2-14,21H,1H3,(H,30,31)(H2,25,27,32)/t21-/m0/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for binding activity against Cholecystokinin type A receptor from rat pancreas using [125]BH CCK-8s as radioligand.

J Med Chem 37: 722-4 (1994)


BindingDB Entry DOI: 10.7270/Q2CN72ZM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%