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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'lassiani' and Initial = 'l'   
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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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))
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))
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))
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)
BDBM50278373
PNG
(2(R)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylamin...)
Show SMILES CSCC[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O4S/c1-29-11-10-17(21(27)28)24-19(25)14-7-3-5-9-16(14)23-20(26)18-12-13-6-2-4-8-15(13)22-18/h2-9,12,17,22H,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t17-/m1/s1
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n/an/a 27n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50278305
PNG
(2(R)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylamin...)
Show SMILES CC(C)C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
Show InChI InChI=1S/C22H23N3O4/c1-13(2)11-19(22(28)29)25-20(26)15-8-4-6-10-17(15)24-21(27)18-12-14-7-3-5-9-16(14)23-18/h3-10,12-13,19,23H,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-/m1/s1
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n/an/a 46n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50278071
PNG
(2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoyla...)
Show SMILES CSCCC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4S/c1-29-11-10-17(21(27)28)24-19(25)14-7-3-5-9-16(14)23-20(26)18-12-13-6-2-4-8-15(13)22-18/h2-9,12,17,22H,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 52n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298593
PNG
((R)-2-(2-(7-fluoro-1H-indole-2-carboxamido)benzami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1 |r|
Show InChI InChI=1S/C25H20FN3O4/c26-18-11-6-9-16-14-20(27-22(16)18)24(31)28-19-12-5-4-10-17(19)23(30)29-21(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,21,27H,13H2,(H,28,31)(H,29,30)(H,32,33)/t21-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50278817
PNG
(2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoyla...)
Show SMILES CC(C)CC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C22H23N3O4/c1-13(2)11-19(22(28)29)25-20(26)15-8-4-6-10-17(15)24-21(27)18-12-14-7-3-5-9-16(14)23-18/h3-10,12-13,19,23H,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)
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n/an/a 83n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50278072
PNG
(2-(R,S)-{2-[(1-Methyl-1H-indole-2-carbonyl)-amino]...)
Show SMILES CSCCC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2n1C)C(O)=O
Show InChI InChI=1S/C22H23N3O4S/c1-25-18-10-6-3-7-14(18)13-19(25)21(27)23-16-9-5-4-8-15(16)20(26)24-17(22(28)29)11-12-30-2/h3-10,13,17H,11-12H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)
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n/an/a 92n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298576
PNG
((R)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-phe...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 |r|
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)/t22-/m1/s1
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n/an/a 106n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
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)
BDBM50298589
PNG
((R)-2-(2-(5-fluoro-1H-indole-2-carboxamido)benzami...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
Show InChI InChI=1S/C25H20FN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)/t22-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298592
PNG
((+/-)-2-(2-(7-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-18-11-6-9-16-14-20(27-22(16)18)24(31)28-19-12-5-4-10-17(19)23(30)29-21(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,21,27H,13H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 159n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50185261
PNG
(4-(3,4-dichlorobenzamido)-5-((3-methoxypropyl)(pen...)
Show SMILES CCCCCN(CCCOC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)
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n/an/a 195n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [111In]-DTPAGlu-Gly-[Tyr27(SO3)]-CCK8 from human CCK1 receptor in A431 cells


J Med Chem 49: 2456-62 (2006)


Article DOI: 10.1021/jm051050n
BindingDB Entry DOI: 10.7270/Q2Q81CPS
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



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
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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n/an/a 197n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [111In]-DTPAGlu-Gly-[Tyr27(SO3)]-CCK8 from human CCK1 receptor in A431 cells


J Med Chem 49: 2456-62 (2006)


Article DOI: 10.1021/jm051050n
BindingDB Entry DOI: 10.7270/Q2Q81CPS
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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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)
BDBM50278816
PNG
(2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoyla...)
Show SMILES CC(C)C(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-12(2)18(21(27)28)24-19(25)14-8-4-6-10-16(14)23-20(26)17-11-13-7-3-5-9-15(13)22-17/h3-12,18,22H,1-2H3,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 288n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298591
PNG
((+/-)-2-(2-(6-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-17-11-10-16-13-21(27-20(16)14-17)24(31)28-19-9-5-4-8-18(19)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 294n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
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)
BDBM50298588
PNG
((+/-)-2-(2-(5-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 314n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
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)
BDBM50298579
PNG
((+/-)-2-(2-(1-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cn1c(cc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-29-22-14-8-5-11-18(22)16-23(29)25(31)27-20-13-7-6-12-19(20)24(30)28-21(26(32)33)15-17-9-3-2-4-10-17/h2-14,16,21H,15H2,1H3,(H,27,31)(H,28,30)(H,32,33)
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n/an/a 350n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
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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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)
BDBM50278135
PNG
(2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoyla...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H22N4O4/c32-25(31-24(27(34)35)14-17-15-28-21-11-5-2-8-18(17)21)19-9-3-6-12-22(19)30-26(33)23-13-16-7-1-4-10-20(16)29-23/h1-13,15,24,28-29H,14H2,(H,30,33)(H,31,32)(H,34,35)
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n/an/a 445n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298583
PNG
((+/-)-3-phenyl-2-(2-(7-(trifluoromethyl)-1H-indole...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C26H20F3N3O4/c27-26(28,29)18-11-6-9-16-14-20(30-22(16)18)24(34)31-19-12-5-4-10-17(19)23(33)32-21(25(35)36)13-15-7-2-1-3-8-15/h1-12,14,21,30H,13H2,(H,31,34)(H,32,33)(H,35,36)
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n/an/a 538n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298582
PNG
((+/-)-2-(2-(7-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cc1cccc2cc([nH]c12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-16-8-7-11-18-15-21(27-23(16)18)25(31)28-20-13-6-5-12-19(20)24(30)29-22(26(32)33)14-17-9-3-2-4-10-17/h2-13,15,22,27H,14H2,1H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 671n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
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)
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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
Cholecystokinin receptor type A


(RAT)
BDBM50298595
PNG
((+/-)-2-(2-(benzofuran-2-carboxamido)benzamido)-3-...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C25H20N2O5/c28-23(27-20(25(30)31)14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)26-24(29)22-15-17-10-4-7-13-21(17)32-22/h1-13,15,20H,14H2,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 891n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298587
PNG
((+/-)-2-(2-(4-fluoro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2c(F)cccc2[nH]1
Show InChI InChI=1S/C25H20FN3O4/c26-18-10-6-12-20-17(18)14-21(27-20)24(31)28-19-11-5-4-9-16(19)23(30)29-22(25(32)33)13-15-7-2-1-3-8-15/h1-12,14,22,27H,13H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 937n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298586
PNG
((+/-)-2-(2-(1-methyl-5-nitro-1H-indole-2-carboxami...)
Show SMILES Cn1c(cc2cc(ccc12)[N+]([O-])=O)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H22N4O6/c1-29-22-12-11-18(30(35)36)14-17(22)15-23(29)25(32)27-20-10-6-5-9-19(20)24(31)28-21(26(33)34)13-16-7-3-2-4-8-16/h2-12,14-15,21H,13H2,1H3,(H,27,32)(H,28,31)(H,33,34)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298596
PNG
((+/-)-2-(2-(benzo[b]thiophene-2-carboxamido)benzam...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C25H20N2O4S/c28-23(27-20(25(30)31)14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)26-24(29)22-15-17-10-4-7-13-21(17)32-22/h1-13,15,20H,14H2,(H,26,29)(H,27,28)(H,30,31)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50278199
PNG
((2R,S)-3-(4-Benzyloxy-phenyl)-2-{2-[(1H-indole-2-c...)
Show SMILES OC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C32H27N3O5/c36-30(25-11-5-7-13-27(25)34-31(37)28-19-23-10-4-6-12-26(23)33-28)35-29(32(38)39)18-21-14-16-24(17-15-21)40-20-22-8-2-1-3-9-22/h1-17,19,29,33H,18,20H2,(H,34,37)(H,35,36)(H,38,39)
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n/an/a 1.16E+3n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298572
PNG
((+/-)-3-phenyl-2-(2-(4,5,6,7-tetrahydro-1H-indole-...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2CCCCc2[nH]1
Show InChI InChI=1S/C25H25N3O4/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/h1-3,5,7-9,11,13,15,22,26H,4,6,10,12,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298584
PNG
((+/-)-2-(2-(5-chloro-1H-indole-2-carboxamido)benza...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H20ClN3O4/c26-17-10-11-19-16(13-17)14-21(27-19)24(31)28-20-9-5-4-8-18(20)23(30)29-22(25(32)33)12-15-6-2-1-3-7-15/h1-11,13-14,22,27H,12H2,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298577
PNG
((+/-)-2-(2-(1H-indole-3-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-21(18)27-24(30)19-15-26-20-12-6-4-10-17(19)20/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50298581
PNG
((+/-)-2-(2-(3-methyl-1H-indole-2-carboxamido)benza...)
Show SMILES Cc1c([nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H23N3O4/c1-16-18-11-5-7-13-20(18)27-23(16)25(31)28-21-14-8-6-12-19(21)24(30)29-22(26(32)33)15-17-9-3-2-4-10-17/h2-14,22,27H,15H2,1H3,(H,28,31)(H,29,30)(H,32,33)
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n/an/a 2.06E+3n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells


Bioorg Med Chem 17: 5198-206 (2009)


Article DOI: 10.1016/j.bmc.2009.05.067
BindingDB Entry DOI: 10.7270/Q2QC03JB
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50278198
PNG
((2R,S)-3-(4-Hydroxy-phenyl)-2-{2-[(1H-indole-2-car...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O5/c29-17-11-9-15(10-12-17)13-22(25(32)33)28-23(30)18-6-2-4-8-20(18)27-24(31)21-14-16-5-1-3-7-19(16)26-21/h1-12,14,22,26,29H,13H2,(H,27,31)(H,28,30)(H,32,33)
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n/an/a 2.07E+3n/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 acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
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