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Articleid 50028918

Compile data set for download or QSAR
Found 17 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)		BDBM50280133
PNG
((3S,4S)-4-[(Naphthalene-2-carbonyl)-amino]-5-oxo-1...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c25-20(16-11-10-14-6-4-5-7-15(14)12-16)23-19-18(22(27)28)13-24(21(19)26)17-8-2-1-3-9-17/h1-12,18-19H,13H2,(H,23,25)(H,27,28)/t18-,19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50280135
PNG
((3S,4S)-4-[(1H-Indole-2-carbonyl)-amino]-5-oxo-1-p...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C20H17N3O4/c24-18(16-10-12-6-4-5-9-15(12)21-16)22-17-14(20(26)27)11-23(19(17)25)13-7-2-1-3-8-13/h1-10,14,17,21H,11H2,(H,22,24)(H,26,27)/t14-,17-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50008170
PNG
(4-(3,4-Dichloro-benzoylamino)-4-dipentylcarbamoyl-...)
Show SMILES CCCCCN(CCCCC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50280136
PNG
((3S,4S)-1-(2-Fluoro-phenyl)-4-[(naphthalene-2-carb...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1F
Show InChI InChI=1S/C22H17FN2O4/c23-17-7-3-4-8-18(17)25-12-16(22(28)29)19(21(25)27)24-20(26)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,16,19H,12H2,(H,24,26)(H,28,29)/t16-,19-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50280139
PNG
((3S,4S)-1-(2-Fluoro-phenyl)-5-oxo-4-[(quinoline-3-...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1cnc2ccccc2c1)c1ccccc1F
Show InChI InChI=1S/C21H16FN3O4/c22-15-6-2-4-8-17(15)25-11-14(21(28)29)18(20(25)27)24-19(26)13-9-12-5-1-3-7-16(12)23-10-13/h1-10,14,18H,11H2,(H,24,26)(H,28,29)/t14-,18-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50280134
PNG
((3S,4R)-4-[(Naphthalene-2-carbonyl)-amino]-5-oxo-1...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c25-20(16-11-10-14-6-4-5-7-15(14)12-16)23-19-18(22(27)28)13-24(21(19)26)17-8-2-1-3-9-17/h1-12,18-19H,13H2,(H,23,25)(H,27,28)/t18-,19+/m0/s1
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50280138
PNG
((3S,4R)-4-[(1H-Indole-2-carbonyl)-amino]-5-oxo-1-p...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@@H]1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C20H17N3O4/c24-18(16-10-12-6-4-5-9-15(12)21-16)22-17-14(20(26)27)11-23(19(17)25)13-7-2-1-3-8-13/h1-10,14,17,21H,11H2,(H,22,24)(H,26,27)/t14-,17+/m0/s1
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50280137
PNG
((3S,4S)-1-Benzyl-4-[(1H-indole-2-carbonyl)-amino]-...)
Show SMILES OC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H19N3O4/c25-19(17-10-14-8-4-5-9-16(14)22-17)23-18-15(21(27)28)12-24(20(18)26)11-13-6-2-1-3-7-13/h1-10,15,18,22H,11-12H2,(H,23,25)(H,27,28)/t15-,18-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50280132
PNG
((3S,4S)-1-Benzyl-4-[(naphthalene-2-carbonyl)-amino...)
Show SMILES OC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N2O4/c26-21(18-11-10-16-8-4-5-9-17(16)12-18)24-20-19(23(28)29)14-25(22(20)27)13-15-6-2-1-3-7-15/h1-12,19-20H,13-14H2,(H,24,26)(H,28,29)/t19-,20-/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type A receptor in rat pancreatic acinar membrane binding assay

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50280137
PNG
((3S,4S)-1-Benzyl-4-[(1H-indole-2-carbonyl)-amino]-...)
Show SMILES OC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H19N3O4/c25-19(17-10-14-8-4-5-9-16(14)22-17)23-18-15(21(27)28)12-24(20(18)26)11-13-6-2-1-3-7-13/h1-10,15,18,22H,11-12H2,(H,23,25)(H,27,28)/t15-,18-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50280135
PNG
((3S,4S)-4-[(1H-Indole-2-carbonyl)-amino]-5-oxo-1-p...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C20H17N3O4/c24-18(16-10-12-6-4-5-9-15(12)21-16)22-17-14(20(26)27)11-23(19(17)25)13-7-2-1-3-8-13/h1-10,14,17,21H,11H2,(H,22,24)(H,26,27)/t14-,17-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50280132
PNG
((3S,4S)-1-Benzyl-4-[(naphthalene-2-carbonyl)-amino...)
Show SMILES OC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H20N2O4/c26-21(18-11-10-16-8-4-5-9-17(16)12-18)24-20-19(23(28)29)14-25(22(20)27)13-15-6-2-1-3-7-15/h1-12,19-20H,13-14H2,(H,24,26)(H,28,29)/t19-,20-/m0/s1
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n/an/a 7.35E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50280136
PNG
((3S,4S)-1-(2-Fluoro-phenyl)-4-[(naphthalene-2-carb...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1F
Show InChI InChI=1S/C22H17FN2O4/c23-17-7-3-4-8-18(17)25-12-16(22(28)29)19(21(25)27)24-20(26)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,16,19H,12H2,(H,24,26)(H,28,29)/t16-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50280133
PNG
((3S,4S)-4-[(Naphthalene-2-carbonyl)-amino]-5-oxo-1...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c25-20(16-11-10-14-6-4-5-7-15(14)12-16)23-19-18(22(27)28)13-24(21(19)26)17-8-2-1-3-9-17/h1-12,18-19H,13H2,(H,23,25)(H,27,28)/t18-,19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50280139
PNG
((3S,4S)-1-(2-Fluoro-phenyl)-5-oxo-4-[(quinoline-3-...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@H]1NC(=O)c1cnc2ccccc2c1)c1ccccc1F
Show InChI InChI=1S/C21H16FN3O4/c22-15-6-2-4-8-17(15)25-11-14(21(28)29)18(20(25)27)24-19(26)13-9-12-5-1-3-7-16(12)23-10-13/h1-10,14,18H,11H2,(H,24,26)(H,28,29)/t14-,18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50280134
PNG
((3S,4R)-4-[(Naphthalene-2-carbonyl)-amino]-5-oxo-1...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@@H]1NC(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c25-20(16-11-10-14-6-4-5-7-15(14)12-16)23-19-18(22(27)28)13-24(21(19)26)17-8-2-1-3-9-17/h1-12,18-19H,13H2,(H,23,25)(H,27,28)/t18-,19+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50280138
PNG
((3S,4R)-4-[(1H-Indole-2-carbonyl)-amino]-5-oxo-1-p...)
Show SMILES OC(=O)[C@H]1CN(C(=O)[C@@H]1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C20H17N3O4/c24-18(16-10-12-6-4-5-9-15(12)21-16)22-17-14(20(26)27)11-23(19(17)25)13-7-2-1-3-8-13/h1-10,14,17,21H,11H2,(H,22,24)(H,26,27)/t14-,17+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-OP radioligand from Cholecystokinin type B receptor of guinea pig cortical membranes

Bioorg Med Chem Lett 2: 1251-1256 (1992)


Article DOI: 10.1016/S0960-894X(00)80224-3
BindingDB Entry DOI: 10.7270/Q24T6J92
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%