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PubMed code 21728335

Compile data set for download or QSAR
Found 20 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


(Homo sapiens (Human))		BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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 0.320n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-JMV-179 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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 2.30n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)
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 3.90n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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 5.80n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR-27897 from wild type human CCK1 receptor expressed in COS7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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PubMed
 10.4n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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 59.8n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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 169n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))		BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1
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 973n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK1 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)
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 1.53E+4n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))		BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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 2.20E+4n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-(Thr,-Nle)-CCK-9 from human CCK2 receptor expressed in COS-7 cells after 60 mins by gamma counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 15.7n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50360274
PNG
(CHEMBL1933101)
Show SMILES OC(=O)C(CCCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H25N3O4/c31-25(30-23(27(33)34)16-8-11-18-9-2-1-3-10-18)20-13-5-7-15-22(20)29-26(32)24-17-19-12-4-6-14-21(19)28-24/h1-7,9-10,12-15,17,23,28H,8,11,16H2,(H,29,32)(H,30,31)(H,33,34)
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n/an/a 107n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 197n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C26H23N3O4/c30-24(29-22(26(32)33)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(31)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27H,14-15H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m0/s1
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n/an/a 313n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50360272
PNG
(CHEMBL1933099)
Show SMILES OC(=O)C(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C24H19N3O4/c28-22(27-21(24(30)31)15-8-2-1-3-9-15)17-11-5-7-13-19(17)26-23(29)20-14-16-10-4-6-12-18(16)25-20/h1-14,21,25H,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 317n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50360277
PNG
(CHEMBL1933108)
Show SMILES ONC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H24N4O4/c31-24(29-22(26(33)30-34)15-14-17-8-2-1-3-9-17)19-11-5-7-13-21(19)28-25(32)23-16-18-10-4-6-12-20(18)27-23/h1-13,16,22,27,34H,14-15H2,(H,28,32)(H,29,31)(H,30,33)
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Similars
Article
PubMed
n/an/a 419n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)		BDBM50360278
PNG
(CHEMBL1933109)
Show SMILES OC(=O)C(CCc1ccccc1)C(=O)Nc1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O4/c30-24(19(26(32)33)15-14-17-8-2-1-3-9-17)28-21-12-6-7-13-22(21)29-25(31)23-16-18-10-4-5-11-20(18)27-23/h1-13,16,19,27H,14-15H2,(H,28,30)(H,29,31)(H,32,33)
PDB

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UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 717n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]-BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acini after 120 hrs by gamma-counting

J Med Chem 54: 5769-85 (2011)


Article DOI: 10.1021/jm200438b
BindingDB Entry DOI: 10.7270/Q2BP036J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%