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PubMed code 3336017

Compile data set for download or QSAR
Found 28 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
Cholecystokinin receptor type A


(RAT)		BDBM50023142
PNG
(1H-Indole-2-carboxylic acid [6-(2-fluoro-phenyl)-1...)
Show SMILES Cc1nnc2C(NC(=O)c3cc4ccccc4[nH]3)N=C(c3ccccc3F)c3ccccc3-n12 |t:20|
Show InChI InChI=1S/C26H19FN6O/c1-15-31-32-25-24(30-26(34)21-14-16-8-2-6-12-20(16)28-21)29-23(17-9-3-5-11-19(17)27)18-10-4-7-13-22(18)33(15)25/h2-14,24,28H,1H3,(H,30,34)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023145
PNG
(1H-Indole-2-carboxylic acid [6-(2-fluoro-phenyl)-4...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)c2nncn2-c2ccccc12 |t:8|
Show InChI InChI=1S/C25H17FN6O/c26-18-10-4-2-8-16(18)22-17-9-3-6-12-21(17)32-14-27-31-24(32)23(29-22)30-25(33)20-13-15-7-1-5-11-19(15)28-20/h1-14,23,28H,(H,30,33)
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n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023144
PNG
(4-Chloro-N-[6-(2-fluoro-phenyl)-4H-2,3,5,10b-tetra...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccc(Cl)cc2)c2nncn2-c2ccccc12 |t:8|
Show InChI InChI=1S/C23H15ClFN5O/c24-15-11-9-14(10-12-15)23(31)28-21-22-29-26-13-30(22)19-8-4-2-6-17(19)20(27-21)16-5-1-3-7-18(16)25/h1-13,21H,(H,28,31)
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n/an/a 4.40n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023142
PNG
(1H-Indole-2-carboxylic acid [6-(2-fluoro-phenyl)-1...)
Show SMILES Cc1nnc2C(NC(=O)c3cc4ccccc4[nH]3)N=C(c3ccccc3F)c3ccccc3-n12 |t:20|
Show InChI InChI=1S/C26H19FN6O/c1-15-31-32-25-24(30-26(34)21-14-16-8-2-6-12-20(16)28-21)29-23(17-9-3-5-11-19(17)27)18-10-4-7-13-22(18)33(15)25/h2-14,24,28H,1H3,(H,30,34)
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023145
PNG
(1H-Indole-2-carboxylic acid [6-(2-fluoro-phenyl)-4...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)c2nncn2-c2ccccc12 |t:8|
Show InChI InChI=1S/C25H17FN6O/c26-18-10-4-2-8-16(18)22-17-9-3-6-12-21(17)32-14-27-31-24(32)23(29-22)30-25(33)20-13-15-7-1-5-11-19(15)28-20/h1-14,23,28H,(H,30,33)
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n/an/a 65n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023151
PNG
(1-(4-Chloro-phenyl)-3-(1-methyl-6-phenyl-4H-2,3,5,...)
Show SMILES Cc1nnc2C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C24H19ClN6O/c1-15-29-30-23-22(28-24(32)26-18-13-11-17(25)12-14-18)27-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)31(15)23/h2-14,22H,1H3,(H2,26,28,32)
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n/an/a 82n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023149
PNG
((6-Phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-4-y...)
Show SMILES O=C(NC1N=C(c2ccccc2)c2ccccc2-n2cnnc12)OCc1ccccc1 |t:4|
Show InChI InChI=1S/C24H19N5O2/c30-24(31-15-17-9-3-1-4-10-17)27-22-23-28-25-16-29(23)20-14-8-7-13-19(20)21(26-22)18-11-5-2-6-12-18/h1-14,16,22H,15H2,(H,27,30)
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n/an/a 100n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023150
PNG
(1-(4-Chloro-phenyl)-3-(6-phenyl-4H-2,3,5,10b-tetra...)
Show SMILES Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3-n3cnnc23)cc1 |t:10|
Show InChI InChI=1S/C23H17ClN6O/c24-16-10-12-17(13-11-16)26-23(31)28-21-22-29-25-14-30(22)19-9-5-4-8-18(19)20(27-21)15-6-2-1-3-7-15/h1-14,21H,(H2,26,28,31)
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n/an/a 120n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023148
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-4H-2,3...)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nncn2-c2ccccc12 |t:8|
Show InChI InChI=1S/C25H18FN5/c26-20-10-4-1-8-18(20)24-19-9-3-6-12-23(19)31-15-28-30-25(31)22(29-24)13-16-14-27-21-11-5-2-7-17(16)21/h1-12,14-15,22,27H,13H2/t22-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023146
PNG
(CHEMBL301172 | [6-(2-Fluoro-phenyl)-4H-2,3,5,10b-t...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)OCc2ccccc2)c2nncn2-c2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN5O2/c25-19-12-6-4-10-17(19)21-18-11-5-7-13-20(18)30-15-26-29-23(30)22(27-21)28-24(31)32-14-16-8-2-1-3-9-16/h1-13,15,22H,14H2,(H,28,31)
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n/an/a 220n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023140
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-meth...)
Show SMILES Cc1nnc2[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3/t23-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023151
PNG
(1-(4-Chloro-phenyl)-3-(1-methyl-6-phenyl-4H-2,3,5,...)
Show SMILES Cc1nnc2C(NC(=O)Nc3ccc(Cl)cc3)N=C(c3ccccc3)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C24H19ClN6O/c1-15-29-30-23-22(28-24(32)26-18-13-11-17(25)12-14-18)27-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)31(15)23/h2-14,22H,1H3,(H2,26,28,32)
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n/an/a 380n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023150
PNG
(1-(4-Chloro-phenyl)-3-(6-phenyl-4H-2,3,5,10b-tetra...)
Show SMILES Clc1ccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3-n3cnnc23)cc1 |t:10|
Show InChI InChI=1S/C23H17ClN6O/c24-16-10-12-17(13-11-16)26-23(31)28-21-22-29-25-14-30(22)19-9-5-4-8-18(19)20(27-21)15-6-2-1-3-7-15/h1-14,21H,(H2,26,28,31)
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n/an/a 380n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023144
PNG
(4-Chloro-N-[6-(2-fluoro-phenyl)-4H-2,3,5,10b-tetra...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccc(Cl)cc2)c2nncn2-c2ccccc12 |t:8|
Show InChI InChI=1S/C23H15ClFN5O/c24-15-11-9-14(10-12-15)23(31)28-21-22-29-26-13-30(22)19-8-4-2-6-17(19)20(27-21)16-5-1-3-7-18(16)25/h1-13,21H,(H,28,31)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023146
PNG
(CHEMBL301172 | [6-(2-Fluoro-phenyl)-4H-2,3,5,10b-t...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)OCc2ccccc2)c2nncn2-c2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN5O2/c25-19-12-6-4-10-17(19)21-18-11-5-7-13-20(18)30-15-26-29-23(30)22(27-21)28-24(31)32-14-16-8-2-1-3-9-16/h1-13,15,22H,14H2,(H,28,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023149
PNG
((6-Phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-4-y...)
Show SMILES O=C(NC1N=C(c2ccccc2)c2ccccc2-n2cnnc12)OCc1ccccc1 |t:4|
Show InChI InChI=1S/C24H19N5O2/c30-24(31-15-17-9-3-1-4-10-17)27-22-23-28-25-16-29(23)20-14-8-7-13-19(20)21(26-22)18-11-5-2-6-12-18/h1-14,16,22H,15H2,(H,27,30)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023140
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-meth...)
Show SMILES Cc1nnc2[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3/t23-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023141
PNG
(CHEMBL300926 | [6-(2-Fluoro-phenyl)-4-(1H-indol-3-...)
Show SMILES CN(C)Cc1nnc2[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:21|
Show InChI InChI=1S/C28H25FN6/c1-34(2)17-26-32-33-28-24(15-18-16-30-23-13-7-4-9-19(18)23)31-27(20-10-3-6-12-22(20)29)21-11-5-8-14-25(21)35(26)28/h3-14,16,24,30H,15,17H2,1-2H3/t24-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023143
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-phen...)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc12 |t:8|
Show InChI InChI=1S/C31H22FN5/c32-25-15-7-4-13-23(25)29-24-14-6-9-17-28(24)37-30(20-10-2-1-3-11-20)35-36-31(37)27(34-29)18-21-19-33-26-16-8-5-12-22(21)26/h1-17,19,27,33H,18H2/t27-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50023147
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-tric...)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nnc(n2-c2ccccc12)C(Cl)(Cl)Cl |t:8|
Show InChI InChI=1S/C26H17Cl3FN5/c27-26(28,29)25-34-33-24-21(13-15-14-31-20-11-5-2-7-16(15)20)32-23(17-8-1-4-10-19(17)30)18-9-3-6-12-22(18)35(24)25/h1-12,14,21,31H,13H2/t21-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023148
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-4H-2,3...)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nncn2-c2ccccc12 |t:8|
Show InChI InChI=1S/C25H18FN5/c26-20-10-4-1-8-18(20)24-19-9-3-6-12-23(19)31-15-28-30-25(31)22(29-24)13-16-14-27-21-11-5-2-7-17(16)21/h1-12,14-15,22,27H,13H2/t22-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023141
PNG
(CHEMBL300926 | [6-(2-Fluoro-phenyl)-4-(1H-indol-3-...)
Show SMILES CN(C)Cc1nnc2[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:21|
Show InChI InChI=1S/C28H25FN6/c1-34(2)17-26-32-33-28-24(15-18-16-30-23-13-7-4-9-19(18)23)31-27(20-10-3-6-12-22(20)29)21-11-5-8-14-25(21)35(26)28/h3-14,16,24,30H,15,17H2,1-2H3/t24-/m1/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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n/an/a 6.40E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023143
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-phen...)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc12 |t:8|
Show InChI InChI=1S/C31H22FN5/c32-25-15-7-4-13-23(25)29-24-14-6-9-17-28(24)37-30(20-10-2-1-3-11-20)35-36-31(37)27(34-29)18-21-19-33-26-16-8-5-12-22(21)26/h1-17,19,27,33H,18H2/t27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50023147
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-tric...)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nnc(n2-c2ccccc12)C(Cl)(Cl)Cl |t:8|
Show InChI InChI=1S/C26H17Cl3FN5/c27-26(28,29)25-34-33-24-21(13-15-14-31-20-11-5-2-7-16(15)20)32-23(17-8-1-4-10-19(17)30)18-9-3-6-12-22(18)35(24)25/h1-12,14,21,31H,13H2/t21-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-gastrin from guinea pig gastric glands

J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%