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PubMed code 1635058

Compile data set for download or QSAR
Found 50 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


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50024321
PNG
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455595
PNG
(CHEMBL2112338)
Show InChI InChI=1S/C34H42N4O7S.Na/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44;/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H,42,43,44);/q;+1/p-1/t21?,22?,24?,25?,29-,31?,34+;/m1./s1
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n/an/a 1.30n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006875
PNG
(CHEMBL263969 | N-{(S)-2-[(R)-2-(Adamantan-2-yloxyc...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35?/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455596
PNG
(CHEMBL2112336)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1
Show InChI InChI=1S/C35H41N7O5S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)47-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-48(46)33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+,48?/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455598
PNG
(CHEMBL2112335)
Show InChI InChI=1S/C35H42N8O4S/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(46)47-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)37-20-29(23-7-3-2-4-8-23)38-30(44)11-12-43-33(48)40-41-42-43/h2-10,19,21-22,24-25,29,31,36H,11-18,20H2,1H3,(H,37,45)(H,38,44)(H,39,46)(H,40,42,48)/t21?,22?,24?,25?,29-,31?,35+/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455600
PNG
(CHEMBL2112330)
Show InChI InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)46-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-47-33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455597
PNG
(CHEMBL2112334)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)Cc1cc(O)no1)c1ccccc1
Show InChI InChI=1S/C36H41N5O6/c1-36(18-26-19-37-29-10-6-5-9-28(26)29,40-35(45)46-33-24-12-21-11-22(14-24)15-25(33)13-21)34(44)38-20-30(23-7-3-2-4-8-23)39-31(42)16-27-17-32(43)41-47-27/h2-10,17,19,21-22,24-25,30,33,37H,11-16,18,20H2,1H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t21?,22?,24?,25?,30-,33?,36+/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455599
PNG
(CHEMBL2112333)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C35H41N7O5S/c1-35(16-25-17-36-27-10-6-5-9-26(25)27,40-34(46)47-30-23-12-20-11-21(14-23)15-24(30)13-20)31(44)37-18-28(22-7-3-2-4-8-22)38-29(43)19-48-33-39-32(45)41-42-33/h2-10,17,20-21,23-24,28,30,36H,11-16,18-19H2,1H3,(H,37,44)(H,38,43)(H,40,46)(H2,39,41,42,45)/t20?,21?,23?,24?,28-,30?,35+/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006881
PNG
(CHEMBL88090 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-phe...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCc1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C35H42N8O4/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(46)47-32-24-14-21-13-22(16-24)17-25(32)15-21)33(45)37-20-29(23-7-3-2-4-8-23)38-31(44)12-11-30-40-42-43-41-30/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,45)(H,38,44)(H,39,46)(H,40,41,42,43)/t21?,22?,24?,25?,29-,32?,35?/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006885
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(5H-t...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)Nc1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C36H43N9O5/c1-36(18-26-19-37-28-10-6-5-9-27(26)28,41-35(49)50-32-24-14-21-13-22(16-24)17-25(32)15-21)33(48)38-20-29(23-7-3-2-4-8-23)39-30(46)11-12-31(47)40-34-42-44-45-43-34/h2-10,19,21-22,24-25,29,32,37H,11-18,20H2,1H3,(H,38,48)(H,39,46)(H,41,49)(H2,40,42,43,44,45,47)/t21?,22?,24?,25?,29-,32?,36?/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006877
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CCOP(O)(=O)CC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C35H45N4O7P/c1-3-45-47(43,44)21-31(40)38-30(24-9-5-4-6-10-24)20-37-33(41)35(2,18-27-19-36-29-12-8-7-11-28(27)29)39-34(42)46-32-25-14-22-13-23(16-25)17-26(32)15-22/h4-12,19,22-23,25-26,30,32,36H,3,13-18,20-21H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)/t22?,23?,25?,26?,30-,32?,35?/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006889
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(C)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O6P/c1-34(17-26-18-35-28-11-7-6-10-27(26)28,38-33(41)44-31-24-13-21-12-22(15-24)16-25(31)14-21)32(40)36-19-29(23-8-4-3-5-9-23)37-30(39)20-45(2,42)43/h3-11,18,21-22,24-25,29,31,35H,12-17,19-20H2,1-2H3,(H,36,40)(H,37,39)(H,38,41)(H,42,43)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006883
PNG
(CHEMBL313499 | [1-[2-(3-Hydroxycarbamoyl-propionyl...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NO)c1ccccc1
Show InChI InChI=1S/C35H43N5O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)46-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(41)11-12-31(42)40-45/h2-10,19,21-22,24-25,29,32,36,45H,11-18,20H2,1H3,(H,37,43)(H,38,41)(H,39,44)(H,40,42)/t21?,22?,24?,25?,29-,32?,35?/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006868
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2H-[...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nnc[nH]1)c1ccccc1
Show InChI InChI=1S/C36H43N7O4S/c1-36(18-27-19-37-29-10-6-5-9-28(27)29,42-35(46)47-32-25-14-22-13-23(16-25)17-26(32)15-22)33(45)38-20-30(24-7-3-2-4-8-24)41-31(44)11-12-48-34-39-21-40-43-34/h2-10,19,21-23,25-26,30,32,37H,11-18,20H2,1H3,(H,38,45)(H,41,44)(H,42,46)(H,39,40,43)/t22?,23?,25?,26?,30-,32?,36?/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50455601
PNG
(CHEMBL2112331)
Show InChI InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,40-34(45)46-32-24-12-21-11-22(14-24)15-25(32)13-21)33(44)37-18-29(23-7-3-2-4-8-23)39-30(43)20-47-31-19-38-42-41-31/h2-10,17,19,21-22,24-25,29,32,36H,11-16,18,20H2,1H3,(H,37,44)(H,39,43)(H,40,45)(H,38,41,42)/t21?,22?,24?,25?,29-,32?,35+/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006882
PNG
(CHEMBL312894 | {2-(1H-Indol-3-yl)-1-[2-(3-methoxyc...)
Show SMILES CONC(=O)CCC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C36H45N5O6/c1-36(19-27-20-37-29-11-7-6-10-28(27)29,40-35(45)47-33-25-15-22-14-23(17-25)18-26(33)16-22)34(44)38-21-30(24-8-4-3-5-9-24)39-31(42)12-13-32(43)41-46-2/h3-11,20,22-23,25-26,30,33,37H,12-19,21H2,1-2H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t22?,23?,25?,26?,30-,33?,36?/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006884
PNG
((2-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O7P/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H2,42,43,44)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006888
PNG
((2-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(C)(O)=O)c1ccccc1
Show InChI InChI=1S/C35H45N4O6P/c1-35(19-27-20-36-29-11-7-6-10-28(27)29,39-34(42)45-32-25-15-22-14-23(17-25)18-26(32)16-22)33(41)37-21-30(24-8-4-3-5-9-24)38-31(40)12-13-46(2,43)44/h3-11,20,22-23,25-26,30,32,36H,12-19,21H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)/t22?,23?,25?,26?,30-,32?,35?/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006879
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C33H41N4O7P/c1-33(16-25-17-34-27-10-6-5-9-26(25)27,37-32(40)44-30-23-12-20-11-21(14-23)15-24(30)13-20)31(39)35-18-28(22-7-3-2-4-8-22)36-29(38)19-45(41,42)43/h2-10,17,20-21,23-24,28,30,34H,11-16,18-19H2,1H3,(H,35,39)(H,36,38)(H,37,40)(H2,41,42,43)/t20?,21?,23?,24?,28-,30?,33?/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006886
PNG
(CHEMBL313756 | [1-[2-(3-Benzenesulfonylamino-propi...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H47N5O6S/c1-40(23-31-24-41-34-15-9-8-14-33(31)34,45-39(48)51-37-29-19-26-18-27(21-29)22-30(37)20-26)38(47)42-25-35(28-10-4-2-5-11-28)44-36(46)16-17-43-52(49,50)32-12-6-3-7-13-32/h2-15,24,26-27,29-30,35,37,41,43H,16-23,25H2,1H3,(H,42,47)(H,44,46)(H,45,48)/t26?,27?,29?,30?,35-,37?,40?/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006872
PNG
(CHEMBL86702 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-phe...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C35H42F3N5O6S/c1-34(18-26-19-39-28-10-6-5-9-27(26)28,43-33(46)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)40-20-29(23-7-3-2-4-8-23)42-30(44)11-12-41-50(47,48)35(36,37)38/h2-10,19,21-22,24-25,29,31,39,41H,11-18,20H2,1H3,(H,40,45)(H,42,44)(H,43,46)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006887
PNG
(CHEMBL86879 | [1-{2-[2-(2-Hydroxy-phenylsulfanyl)-...)
Show InChI InChI=1S/C39H44N4O5S/c1-39(20-29-21-40-31-12-6-5-11-30(29)31,43-38(47)48-36-27-16-24-15-25(18-27)19-28(36)17-24)37(46)41-22-32(26-9-3-2-4-10-26)42-35(45)23-49-34-14-8-7-13-33(34)44/h2-14,21,24-25,27-28,32,36,40,44H,15-20,22-23H2,1H3,(H,41,46)(H,42,45)(H,43,47)/t24?,25?,27?,28?,32-,36?,39-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006867
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2,2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C36H42F3N5O5/c1-35(18-26-19-41-28-10-6-5-9-27(26)28,44-34(48)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(46)42-20-29(23-7-3-2-4-8-23)43-30(45)11-12-40-33(47)36(37,38)39/h2-10,19,21-22,24-25,29,31,41H,11-18,20H2,1H3,(H,40,47)(H,42,46)(H,43,45)(H,44,48)/t21?,22?,24?,25?,29-,31?,35?/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM81962
PNG
(S-L-365,260)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006886
PNG
(CHEMBL313756 | [1-[2-(3-Benzenesulfonylamino-propi...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H47N5O6S/c1-40(23-31-24-41-34-15-9-8-14-33(31)34,45-39(48)51-37-29-19-26-18-27(21-29)22-30(37)20-26)38(47)42-25-35(28-10-4-2-5-11-28)44-36(46)16-17-43-52(49,50)32-12-6-3-7-13-32/h2-15,24,26-27,29-30,35,37,41,43H,16-23,25H2,1H3,(H,42,47)(H,44,46)(H,45,48)/t26?,27?,29?,30?,35-,37?,40?/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006877
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CCOP(O)(=O)CC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C35H45N4O7P/c1-3-45-47(43,44)21-31(40)38-30(24-9-5-4-6-10-24)20-37-33(41)35(2,18-27-19-36-29-12-8-7-11-28(27)29)39-34(42)46-32-25-14-22-13-23(16-25)17-26(32)15-22/h4-12,19,22-23,25-26,30,32,36H,3,13-18,20-21H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)/t22?,23?,25?,26?,30-,32?,35?/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006887
PNG
(CHEMBL86879 | [1-{2-[2-(2-Hydroxy-phenylsulfanyl)-...)
Show InChI InChI=1S/C39H44N4O5S/c1-39(20-29-21-40-31-12-6-5-11-30(29)31,43-38(47)48-36-27-16-24-15-25(18-27)19-28(36)17-24)37(46)41-22-32(26-9-3-2-4-10-26)42-35(45)23-49-34-14-8-7-13-33(34)44/h2-14,21,24-25,27-28,32,36,40,44H,15-20,22-23H2,1H3,(H,41,46)(H,42,45)(H,43,47)/t24?,25?,27?,28?,32-,36?,39-/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455601
PNG
(CHEMBL2112331)
Show InChI InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,40-34(45)46-32-24-12-21-11-22(14-24)15-25(32)13-21)33(44)37-18-29(23-7-3-2-4-8-23)39-30(43)20-47-31-19-38-42-41-31/h2-10,17,19,21-22,24-25,29,32,36H,11-16,18,20H2,1H3,(H,37,44)(H,39,43)(H,40,45)(H,38,41,42)/t21?,22?,24?,25?,29-,32?,35+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50024321
PNG
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455598
PNG
(CHEMBL2112335)
Show InChI InChI=1S/C35H42N8O4S/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(46)47-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)37-20-29(23-7-3-2-4-8-23)38-30(44)11-12-43-33(48)40-41-42-43/h2-10,19,21-22,24-25,29,31,36H,11-18,20H2,1H3,(H,37,45)(H,38,44)(H,39,46)(H,40,42,48)/t21?,22?,24?,25?,29-,31?,35+/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455599
PNG
(CHEMBL2112333)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccccc1
Show InChI InChI=1S/C35H41N7O5S/c1-35(16-25-17-36-27-10-6-5-9-26(25)27,40-34(46)47-30-23-12-20-11-21(14-23)15-24(30)13-20)31(44)37-18-28(22-7-3-2-4-8-22)38-29(43)19-48-33-39-32(45)41-42-33/h2-10,17,20-21,23-24,28,30,36H,11-16,18-19H2,1H3,(H,37,44)(H,38,43)(H,40,46)(H2,39,41,42,45)/t20?,21?,23?,24?,28-,30?,35+/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455600
PNG
(CHEMBL2112330)
Show InChI InChI=1S/C35H41N7O4S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)46-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-47-33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006872
PNG
(CHEMBL86702 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-phe...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNS(=O)(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C35H42F3N5O6S/c1-34(18-26-19-39-28-10-6-5-9-27(26)28,43-33(46)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)40-20-29(23-7-3-2-4-8-23)42-30(44)11-12-41-50(47,48)35(36,37)38/h2-10,19,21-22,24-25,29,31,39,41H,11-18,20H2,1H3,(H,40,45)(H,42,44)(H,43,46)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 680n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of CCK-A receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006867
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2,2,...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCNC(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C36H42F3N5O5/c1-35(18-26-19-41-28-10-6-5-9-27(26)28,44-34(48)49-31-24-14-21-13-22(16-24)17-25(31)15-21)32(46)42-20-29(23-7-3-2-4-8-23)43-30(45)11-12-40-33(47)36(37,38)39/h2-10,19,21-22,24-25,29,31,41H,11-18,20H2,1H3,(H,40,47)(H,42,46)(H,43,45)(H,44,48)/t21?,22?,24?,25?,29-,31?,35?/m1/s1
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n/an/a 790n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006868
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(2H-[...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCSc1nnc[nH]1)c1ccccc1
Show InChI InChI=1S/C36H43N7O4S/c1-36(18-27-19-37-29-10-6-5-9-28(27)29,42-35(46)47-32-25-14-22-13-23(16-25)17-26(32)15-22)33(45)38-20-30(24-7-3-2-4-8-24)41-31(44)11-12-48-34-39-21-40-43-34/h2-10,19,21-23,25-26,30,32,37H,11-18,20H2,1H3,(H,38,45)(H,41,44)(H,42,46)(H,39,40,43)/t22?,23?,25?,26?,30-,32?,36?/m1/s1
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n/an/a 850n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455596
PNG
(CHEMBL2112336)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1
Show InChI InChI=1S/C35H41N7O5S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)47-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-48(46)33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+,48?/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006881
PNG
(CHEMBL88090 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-phe...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCc1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C35H42N8O4/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(46)47-32-24-14-21-13-22(16-24)17-25(32)15-21)33(45)37-20-29(23-7-3-2-4-8-23)38-31(44)12-11-30-40-42-43-41-30/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,45)(H,38,44)(H,39,46)(H,40,41,42,43)/t21?,22?,24?,25?,29-,32?,35?/m1/s1
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n/an/a 970n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455595
PNG
(CHEMBL2112338)
Show InChI InChI=1S/C34H42N4O7S.Na/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44;/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H,42,43,44);/q;+1/p-1/t21?,22?,24?,25?,29-,31?,34+;/m1./s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006883
PNG
(CHEMBL313499 | [1-[2-(3-Hydroxycarbamoyl-propionyl...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)NO)c1ccccc1
Show InChI InChI=1S/C35H43N5O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)46-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(41)11-12-31(42)40-45/h2-10,19,21-22,24-25,29,32,36,45H,11-18,20H2,1H3,(H,37,43)(H,38,41)(H,39,44)(H,40,42)/t21?,22?,24?,25?,29-,32?,35?/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006885
PNG
((2-(1H-Indol-3-yl)-1-methyl-1-{2-phenyl-2-[3-(5H-t...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(=O)Nc1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C36H43N9O5/c1-36(18-26-19-37-28-10-6-5-9-27(26)28,41-35(49)50-32-24-14-21-13-22(16-24)17-25(32)15-21)33(48)38-20-29(23-7-3-2-4-8-23)39-30(46)11-12-31(47)40-34-42-44-45-43-34/h2-10,19,21-22,24-25,29,32,37H,11-18,20H2,1H3,(H,38,48)(H,39,46)(H,41,49)(H2,40,42,43,44,45,47)/t21?,22?,24?,25?,29-,32?,36?/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006882
PNG
(CHEMBL312894 | {2-(1H-Indol-3-yl)-1-[2-(3-methoxyc...)
Show SMILES CONC(=O)CCC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C36H45N5O6/c1-36(19-27-20-37-29-11-7-6-10-28(27)29,40-35(45)47-33-25-15-22-14-23(17-25)18-26(33)16-22)34(44)38-21-30(24-8-4-3-5-9-24)39-31(42)12-13-32(43)41-46-2/h3-11,20,22-23,25-26,30,33,37H,12-19,21H2,1-2H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t22?,23?,25?,26?,30-,33?,36?/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455597
PNG
(CHEMBL2112334)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)Cc1cc(O)no1)c1ccccc1
Show InChI InChI=1S/C36H41N5O6/c1-36(18-26-19-37-29-10-6-5-9-28(26)29,40-35(45)46-33-24-12-21-11-22(14-24)15-25(33)13-21)34(44)38-20-30(23-7-3-2-4-8-23)39-31(42)16-27-17-32(43)41-47-27/h2-10,17,19,21-22,24-25,30,33,37H,11-16,18,20H2,1H3,(H,38,44)(H,39,42)(H,40,45)(H,41,43)/t21?,22?,24?,25?,30-,33?,36+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006889
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(C)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O6P/c1-34(17-26-18-35-28-11-7-6-10-27(26)28,38-33(41)44-31-24-13-21-12-22(15-24)16-25(31)14-21)32(40)36-19-29(23-8-4-3-5-9-23)37-30(39)20-45(2,42)43/h3-11,18,21-22,24-25,29,31,35H,12-17,19-20H2,1-2H3,(H,36,40)(H,37,39)(H,38,41)(H,42,43)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006884
PNG
((2-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C34H43N4O7P/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H2,42,43,44)/t21?,22?,24?,25?,29-,31?,34?/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006888
PNG
((2-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCP(C)(O)=O)c1ccccc1
Show InChI InChI=1S/C35H45N4O6P/c1-35(19-27-20-36-29-11-7-6-10-28(27)29,39-34(42)45-32-25-15-22-14-23(17-25)18-26(32)16-22)33(41)37-21-30(24-8-4-3-5-9-24)38-31(40)12-13-46(2,43)44/h3-11,20,22-23,25-26,30,32,36H,12-19,21H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)/t22?,23?,25?,26?,30-,32?,35?/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006875
PNG
(CHEMBL263969 | N-{(S)-2-[(R)-2-(Adamantan-2-yloxyc...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35?/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50006879
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(O)(O)=O)c1ccccc1
Show InChI InChI=1S/C33H41N4O7P/c1-33(16-25-17-34-27-10-6-5-9-26(25)27,37-32(40)44-30-23-12-20-11-21(14-23)15-24(30)13-20)31(39)35-18-28(22-7-3-2-4-8-22)36-29(38)19-45(41,42)43/h2-10,17,20-21,23-24,28,30,34H,11-16,18-19H2,1H3,(H,35,39)(H,36,38)(H,37,40)(H2,41,42,43)/t20?,21?,23?,24?,28-,30?,33?/m1/s1
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PC cid
PC sid
UniChem

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PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%