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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'escrieut' and Initial = 'c'   
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


(Homo sapiens (Human))
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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-/s2
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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


(Homo sapiens (Human))
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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-/s2
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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


(Homo sapiens (Human))
BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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


(Homo sapiens (Human))
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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-/s2
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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


(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
Show InChI InChI=1/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-/s2
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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


(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=1/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
Cholecystokinin 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
Show InChI InChI=1/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-/s2
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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


(Homo sapiens (Human))
BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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-/s2
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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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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-/s2
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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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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-/s2
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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
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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
Cholecystokinin 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=1/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


(RAT)
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060319
PNG
(CHEMBL113718 | [(S)-1-((4aS,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)40)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+/m1/s1
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n/an/a 1.59n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 2.83n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S348A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (M195L)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170766
PNG
(CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/m1/s1
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n/an/a 5.20n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S348A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 5.80n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (M195L)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate production in Cos-7 cells expressing human CCK1R


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S342A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate production in Cos-7 cells expressing human CCK1R


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R197M)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50360276
PNG
(CHEMBL1933104)
Show SMILES OC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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-/s2
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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


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 11.8n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R197M)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 15.4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50360273
PNG
(CHEMBL1933100)
Show SMILES OC(=O)C(CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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


(Homo sapiens (Human))
BDBM50170766
PNG
(CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (R197M)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170766
PNG
(CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/m1/s1
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n/an/a 23.3n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (F107A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 24.9n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (T117A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 26.8n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (F107A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 27.5n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S342A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 28.4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (T117A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 31.5n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (F107A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170766
PNG
(CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/m1/s1
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n/an/a 33.2n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S342A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170766
PNG
(CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/m1/s1
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n/an/a 35.2n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate production in Cos-7 cells expressing human CCK1R


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170766
PNG
(CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/m1/s1
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n/an/a 35.2n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (M195L)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170766
PNG
(CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/m1/s1
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n/an/a 36.6n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (S348A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170766
PNG
(CHEMBL189634 | [(S)-1-((4aS,5R)-1,3-Dioxo-2-phenyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1ccccc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,3)40-28(38)33-24(16-19-18-31-22-13-8-7-12-21(19)22)27(37)32-23-14-9-15-34-25(23)17-26(36)35(29(34)39)20-10-5-4-6-11-20/h4-8,10-13,18,23-25,31H,9,14-17H2,1-3H3,(H,32,37)(H,33,38)/t23-,24+,25+/m1/s1
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n/an/a 71.6n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (T117A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50360274
PNG
(CHEMBL1933101)
Show SMILES OC(=O)C(CCCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 129n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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n/an/a 183n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I329F)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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=1/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


(Homo sapiens (Human))
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 227n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate in Cos-7 cells expressing mutant CCK1R (I352A)


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50360275
PNG
(CHEMBL1933103)
Show SMILES OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1/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-/s2
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PC cid
PC sid
UniChem

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Article
PubMed
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
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