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Compile Data Set for Download or QSAR

Found 1377 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' AND taxid = 10116   
Target
(Institution)
LigandTarget
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)
BDBM50089269
PNG
(CHEMBL276192 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O15S/c1-4-5-20-42(61-47(67)29-36-23-25-38(26-24-36)81-82(78,79)80)52(73)60-33-48(68)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(75)63-43(22-13-14-27-58-56(77)65-51(72)39-18-10-9-15-34(39)2)53(74)64-45(31-49(69)70)55(76)66(3)46(50(57)71)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,71)(H,60,73)(H,61,67)(H,62,68)(H,63,75)(H,64,74)(H,69,70)(H,78,79,80)(H2,58,65,72,77)
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0.0200n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061829
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-({(S)-2-[...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


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


(RAT)
BDBM50061828
PNG
(CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


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


(RAT)
BDBM50061828
PNG
(CHEMBL76248 | CID44356929 | N-(1-Carbamoyl-2-pheny...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(62)53-36(17-7-5-2)47(64)55(3)39(26-42(58)59)46(63)54-37(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,62)(H,54,63)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089268
PNG
(CHEMBL267861 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)NC(=O)c1ccccc1C)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H68N10O12/c1-4-5-20-42(61-47(68)29-36-23-25-38(67)26-24-36)52(74)60-33-48(69)62-44(30-37-32-59-41-21-12-11-19-40(37)41)54(76)63-43(22-13-14-27-58-56(78)65-51(73)39-18-10-9-15-34(39)2)53(75)64-45(31-49(70)71)55(77)66(3)46(50(57)72)28-35-16-7-6-8-17-35/h6-12,15-19,21,23-26,32,42-46,59,67H,4-5,13-14,20,22,27-31,33H2,1-3H3,(H2,57,72)(H,60,74)(H,61,68)(H,62,69)(H,63,76)(H,64,75)(H,70,71)(H2,58,65,73,78)
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0.0500n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061832
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)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)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


Citation and Details
More data for this
Ligand-Target Pair
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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0.0900n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


Citation and Details
More data for this
Ligand-Target Pair
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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0.0900n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061833
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-6-16-35(51-40(56)24-30-19-21-32(22-20-30)68-69(65,66)67)44(61)50-28-41(57)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(63)53-36(17-7-5-2)45(62)54-38(26-42(58)59)47(64)55(3)39(43(48)60)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38+,39-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


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


(RAT)
BDBM50369326
PNG
(CHEMBL1791002)
Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-6-27(3)41(53-38(56)22-30-17-19-32(20-18-30)68-69(65,66)67)46(63)50-26-39(57)51-36(23-31-25-49-34-16-12-11-15-33(31)34)44(61)54-42(28(4)7-2)47(64)55(5)37(24-40(58)59)45(62)52-35(43(48)60)21-29-13-9-8-10-14-29/h8-20,25,27-28,35-37,41-42,49H,6-7,21-24,26H2,1-5H3,(H2,48,60)(H,50,63)(H,51,57)(H,52,62)(H,53,56)(H,54,61)(H,58,59)(H,65,66,67)/t27-,28-,35-,36-,37-,41-,42-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


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


(RAT)
BDBM50060321
PNG
(1H-Indole-2-carboxylic acid ((R)-1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
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-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


Citation and Details
More data for this
Ligand-Target Pair
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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0.520n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


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


(RAT)
BDBM50369325
PNG
(CHEMBL1791005)
Show SMILES CCCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-6-8-17-36(52-40(57)24-31-19-21-33(22-20-31)69-70(66,67)68)45(62)51-28-41(58)53-37(25-32-27-50-35-18-13-12-16-34(32)35)46(63)54-43(29(3)7-2)48(65)56(5)39(26-42(59)60)47(64)55(4)38(44(49)61)23-30-14-10-9-11-15-30/h9-16,18-22,27,29,36-39,43,50H,6-8,17,23-26,28H2,1-5H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,59,60)(H,66,67,68)/t29-,36-,37-,38-,39-,43-/m0/s1
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0.530n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


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


(RAT)
BDBM50060322
PNG
(CHEMBL332261 | [(S)-1-((4aS,5S)-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-/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


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


(RAT)
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=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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0.700n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50061834
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)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)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36+,37-/m0/s1
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0.980n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


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


(RAT)
BDBM50089276
PNG
(CHEMBL430608 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-53(37(41(46)58)21-27-9-5-4-6-10-27)45(62)36(24-40(56)57)52-43(60)34(18-20-68-3)51-44(61)35(23-29-25-47-32-12-8-7-11-31(29)32)50-39(55)26-48-42(59)33(17-19-67-2)49-38(54)22-28-13-15-30(16-14-28)66-69(63,64)65/h4-16,25,33-37,47H,17-24,26H2,1-3H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,60)(H,56,57)(H,63,64,65)
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0.980n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089275
PNG
(CHEMBL384303 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)\C=C\c1ccc(O)cc1)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C56H67N9O12/c1-3-4-15-43(61-49(69)30-37-20-25-40(67)26-21-37)53(74)60-34-50(70)62-45(31-38-33-59-42-16-9-8-14-41(38)42)55(76)63-44(17-10-11-28-58-48(68)27-22-35-18-23-39(66)24-19-35)54(75)64-46(32-51(71)72)56(77)65(2)47(52(57)73)29-36-12-6-5-7-13-36/h5-9,12-14,16,18-27,33,43-47,59,66-67H,3-4,10-11,15,17,28-32,34H2,1-2H3,(H2,57,73)(H,58,68)(H,60,74)(H,61,69)(H,62,70)(H,63,76)(H,64,75)(H,71,72)/b27-22+
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3.40n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089277
PNG
(CHEMBL311187 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-({...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCC)C(=O)N(C)C(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O10/c1-4-6-16-35(51-40(57)24-30-19-21-32(56)22-20-30)44(62)50-28-41(58)52-38(25-31-27-49-34-18-12-11-15-33(31)34)45(63)53-36(17-7-5-2)47(65)55(3)39(26-42(59)60)46(64)54-37(43(48)61)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49,56H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,63)(H,54,64)(H,59,60)
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4.20n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50016425
PNG
((S)-3-{(S)-2-[(S)-2-(2-{(S)-2-[(S)-2-tert-Butoxyca...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
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4.31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...


J Med Chem 30: 962-8 (1987)

More data for this
Ligand-Target Pair
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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8.71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...


J Med Chem 30: 962-8 (1987)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060323
PNG
(CHEMBL431858 | [(S)-1-((4aR,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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10.6n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


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


(RAT)
BDBM50061830
PNG
((R)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{(S)-2-[(...)
Show SMILES CSCC[C@H](NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)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/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)/t32-,33-,34-,35-,36+/m0/s1
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19n/an/an/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue


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


(RAT)
BDBM50089272
PNG
(CHEMBL312359 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCCC(NC(=O)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C44H54N8O13S3/c1-66-18-16-32(48-37(53)21-27-12-14-29(15-13-27)65-68(62,63)64)41(58)47-25-38(54)49-35(22-28-24-46-31-11-7-6-10-30(28)31)43(60)50-33(17-19-67-2)42(59)52-36(23-39(55)56)44(61)51-34(40(45)57)20-26-8-4-3-5-9-26/h3-15,24,32-36,46H,16-23,25H2,1-2H3,(H2,45,57)(H,47,58)(H,48,53)(H,49,54)(H,50,60)(H,51,61)(H,52,59)(H,55,56)(H,62,63,64)
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19n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50049805
PNG
(CHEMBL169703 | Thiophene-3-carboxylic acid [5-(2-f...)
Show SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
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47n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Cholecystokinin type A receptor using [125I]-(BH)-CCK-8 as radioligand in rat pancreas.


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


(RAT)
BDBM50005459
PNG
(4-(3,4-Dichloro-benzoylamino)-4-dipentylcarbamoyl-...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)/t19-/m1/s1
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49n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089270
PNG
(CHEMBL308622 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CCCCC(NC(=O)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCC)C(=O)NC(CC(O)=O)C(=O)N(C)C(Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O10/c1-4-6-16-35(51-40(57)24-30-19-21-32(56)22-20-30)44(62)50-28-41(58)52-37(25-31-27-49-34-18-12-11-15-33(31)34)46(64)53-36(17-7-5-2)45(63)54-38(26-42(59)60)47(65)55(3)39(43(48)61)23-29-13-9-8-10-14-29/h8-15,18-22,27,35-39,49,56H,4-7,16-17,23-26,28H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,63)(H,59,60)
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51n/an/an/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-8 binding to Cholecystokinin type A receptor of rat pancreatic tissue


J Med Chem 43: 2350-5 (2000)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005456
PNG
(1-(4-Chloro-phenyl)-3-(3,3-diphenyl-allyl)-urea | ...)
Show SMILES Clc1ccc(NC(=O)NCC=C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19ClN2O/c23-19-11-13-20(14-12-19)25-22(26)24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,16H2,(H2,24,25,26)
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90n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50008170
PNG
(4-(3,4-Dichloro-benzoylamino)-4-dipentylcarbamoyl-...)
Show SMILES CCCCCN(CCCCC)C(=O)C(CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)
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129n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Cholecystokinin type A receptor using [125I]-(BH)-CCK-8 as radioligand in rat pancreas.


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


(RAT)
BDBM50285623
PNG
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N)c(I)c1
Show InChI InChI=1S/C33H39IN4O5/c1-33(16-23-17-36-28-5-3-2-4-25(23)28,38-32(42)43-30-21-9-19-8-20(11-21)12-22(30)10-19)31(41)37-24(15-29(39)40)13-18-6-7-27(35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16,35H2,1H3,(H,37,41)(H,38,42)(H,39,40)/t19?,20?,21?,22?,24-,30?,33-/m1/s1
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158n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards CCK-A receptor in rat pancreas membrane using Hunter labelled CCK-8S assay


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


(RAT)
BDBM50418901
PNG
(CHEMBL1808415)
Show SMILES Cc1cccc(NC(=O)NC2C(=O)N(CCN3CCOCC3)c3ccccc3N(CC3CCCCC3)C2=O)c1
Show InChI InChI=1S/C30H39N5O4/c1-22-8-7-11-24(20-22)31-30(38)32-27-28(36)34(15-14-33-16-18-39-19-17-33)25-12-5-6-13-26(25)35(29(27)37)21-23-9-3-2-4-10-23/h5-8,11-13,20,23,27H,2-4,9-10,14-19,21H2,1H3,(H2,31,32,38)
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174n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CCK8 from rat pancreas CCK1 receptor at by liquid scintillation counting


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


(RAT)
BDBM50005471
PNG
(1H-Indole-2-carboxylic acid (3-phenyl-allyl)-amide...)
Show SMILES O=C(NC\C=C\c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-11,13,20H,12H2,(H,19,21)/b9-6+
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180n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005453
PNG
(1H-Indole-2-carboxylic acid [3,3-bis-(4-chloro-phe...)
Show SMILES Clc1ccc(cc1)C(=CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2O/c25-19-9-5-16(6-10-19)21(17-7-11-20(26)12-8-17)13-14-27-24(29)23-15-18-3-1-2-4-22(18)28-23/h1-13,15,28H,14H2,(H,27,29)
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200n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005450
PNG
(1-(4-Chloro-phenyl)-3-(3-pentyl-oct-2-enyl)-urea |...)
Show SMILES CCCCCC(CCCCC)=CCNC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H31ClN2O/c1-3-5-7-9-17(10-8-6-4-2)15-16-22-20(24)23-19-13-11-18(21)12-14-19/h11-15H,3-10,16H2,1-2H3,(H2,22,23,24)
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200n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50418893
PNG
(CHEMBL1808400)
Show SMILES CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2cccc(C)c2)C1=O
Show InChI InChI=1S/C28H37N5O4/c1-20(2)11-12-32-23-9-4-5-10-24(23)33(14-13-31-15-17-37-18-16-31)27(35)25(26(32)34)30-28(36)29-22-8-6-7-21(3)19-22/h4-10,19-20,25H,11-18H2,1-3H3,(H2,29,30,36)
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275n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CCK8 from rat pancreas CCK1 receptor at by liquid scintillation counting


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


(RAT)
BDBM50005455
PNG
(1H-Indole-2-carboxylic acid (3,3-diphenyl-propyl)-...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H22N2O/c27-24(23-17-20-13-7-8-14-22(20)26-23)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,21,26H,15-16H2,(H,25,27)
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290n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060326
PNG
(CHEMBL116001 | [(R)-1-((4aS,5S)-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-/m0/s1
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298n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


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


(RAT)
BDBM50016426
PNG
(3-{2-[2-(6-Amino-2-{2-[2-(2-tert-butoxycarbonylami...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=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/C60H83N11O18S/c1-6-8-20-41(65-55(80)45(30-36-24-26-38(27-25-36)89-90(85,86)87)68-58(83)48(33-50(74)75)71-59(84)88-60(3,4)5)52(77)64-43(23-15-16-28-61)54(79)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(81)66-42(21-9-7-2)53(78)70-47(32-49(72)73)57(82)67-44(51(62)76)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33,61H2,1-5H3,(H2,62,76)(H,64,77)(H,65,80)(H,66,81)(H,67,82)(H,68,83)(H,69,79)(H,70,78)(H,71,84)(H,72,73)(H,74,75)(H,85,86,87)/t41-,42-,43+,44-,45-,46-,47-,48-/m0/s1
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340n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity measured by inhibiting [3H]Boc[Nle28,31]CCK27-33 specific binding to Cholecystokinin receptor in rat pancreas membrane...


J Med Chem 30: 962-8 (1987)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005466
PNG
(1H-Indole-2-carboxylic acid (3,3-diphenyl-allyl)-a...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H20N2O/c27-24(23-17-20-13-7-8-14-22(20)26-23)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,17,26H,16H2,(H,25,27)
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340n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50418884
PNG
(CHEMBL1808414)
Show SMILES O=C(NC1C(=O)N(CCN2CCOCC2)c2ccccc2N(CC2CCCCC2)C1=O)Nc1ccccc1
Show InChI InChI=1S/C29H37N5O4/c35-27-26(31-29(37)30-23-11-5-2-6-12-23)28(36)34(21-22-9-3-1-4-10-22)25-14-8-7-13-24(25)33(27)16-15-32-17-19-38-20-18-32/h2,5-8,11-14,22,26H,1,3-4,9-10,15-21H2,(H2,30,31,37)
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347n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CCK8 from rat pancreas CCK1 receptor at by liquid scintillation counting


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


(RAT)
BDBM50281737
PNG
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N)cc1
Show InChI InChI=1S/C33H40N4O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17,34H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33-/m1/s1
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350n/an/an/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for the inhibition of binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas.


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


(RAT)
BDBM50285625
PNG
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C33H37IN6O5/c1-33(16-23-17-36-27-5-3-2-4-25(23)27,38-32(44)45-30-21-9-19-8-20(11-21)12-22(30)10-19)31(43)37-24(15-29(41)42)13-18-6-7-28(39-40-35)26(34)14-18/h2-7,14,17,19-22,24,30,36H,8-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,41,42)/t19?,20?,21?,22?,24-,30?,33-/m1/s1
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392n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards CCK-A receptor in rat pancreas membrane using Hunter labelled CCK-8S assay


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


(RAT)
BDBM50005468
PNG
(3,4-Dichloro-N-(3,3-diphenyl-allyl)-benzamide | CH...)
Show SMILES Clc1ccc(cc1Cl)C(=O)NCC=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H17Cl2NO/c23-20-12-11-18(15-21(20)24)22(26)25-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,25,26)
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400n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005457
PNG
(1-(4-Chloro-phenyl)-3-(4,4-diphenyl-but-3-enyl)-ur...)
Show SMILES Clc1ccc(NC(=O)NCCC=C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H21ClN2O/c24-20-13-15-21(16-14-20)26-23(27)25-17-7-12-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-16H,7,17H2,(H2,25,26,27)
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400n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005470
PNG
(CHEMBL8949 | Naphthalene-2-carboxylic acid (3,3-di...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H21NO/c28-26(24-16-15-20-9-7-8-14-23(20)19-24)27-18-17-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-17,19H,18H2,(H,27,28)
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450n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50418896
PNG
(CHEMBL1807152)
Show SMILES CCN(CC)CCN1c2ccccc2N(CC2CCCCC2)C(=O)C(NC(=O)Nc2ccccc2)C1=O
Show InChI InChI=1S/C29H39N5O3/c1-3-32(4-2)19-20-33-24-17-11-12-18-25(24)34(21-22-13-7-5-8-14-22)28(36)26(27(33)35)31-29(37)30-23-15-9-6-10-16-23/h6,9-12,15-18,22,26H,3-5,7-8,13-14,19-21H2,1-2H3,(H2,30,31,37)
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468n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CCK8 from rat pancreas CCK1 receptor at by liquid scintillation counting


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


(RAT)
BDBM50005461
PNG
(CHEMBL9510 | Quinoline-2-carboxylic acid (3,3-diph...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H20N2O/c28-25(24-16-15-21-13-7-8-14-23(21)27-24)26-18-17-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-17H,18H2,(H,26,28)
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470n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50045800
PNG
(CHEMBL317999 | {[2-(Adamantan-2-yloxycarbonylamino...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccc1)CC(O)=O
Show InChI InChI=1S/C33H39N3O5/c1-33(18-26-19-34-28-10-6-5-9-27(26)28,31(39)36(20-29(37)38)12-11-21-7-3-2-4-8-21)35-32(40)41-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19,22-25,30,34H,11-18,20H2,1H3,(H,35,40)(H,37,38)/t22-,23+,24-,25+,30?,33?
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531n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity towards cholecystokinin type A receptor in rat pancreas by displacement of [3H]-pCCK-8 radioligand


J Med Chem 36: 2868-77 (1993)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50418891
PNG
(CHEMBL1808405)
Show SMILES CC(C)CCN1c2ccccc2N(CCN2CCOCC2)C(=O)C(NC(=O)Nc2ccc(Br)cc2C)C1=O
Show InChI InChI=1S/C28H36BrN5O4/c1-19(2)10-11-33-23-6-4-5-7-24(23)34(13-12-32-14-16-38-17-15-32)27(36)25(26(33)35)31-28(37)30-22-9-8-21(29)18-20(22)3/h4-9,18-19,25H,10-17H2,1-3H3,(H2,30,31,37)
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537n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CCK8 from rat pancreas CCK1 receptor at by liquid scintillation counting


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Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060327
PNG
(CHEMBL116127 | [(S)-1-((4aR,5S)-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+/m0/s1
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572n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pCCK-8 specific binding to Cholecystokinin type A receptor of rat pancreas


Citation and Details
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Ligand-Target Pair
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