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Compile Data Set for Download or QSAR

Found 165 hits of ic50 for UniProtKB: P32239   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
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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n/an/a 0.300n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes


J Med Chem 32: 2331-9 (1989)


BindingDB Entry DOI: 10.7270/Q2M61NGS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50226886
PNG
(CHEMBL1159912)
Show SMILES CCCC[C@@H](CNCC(=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)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C52H71N9O14S/c1-6-8-17-35(56-48(67)41(61-51(70)74-52(3,4)5)26-33-21-23-36(24-22-33)75-76(71,72)73)30-54-31-44(62)57-42(27-34-29-55-38-20-14-13-18-37(34)38)49(68)58-39(19-9-7-2)47(66)60-43(28-45(63)64)50(69)59-40(46(53)65)25-32-15-11-10-12-16-32/h10-16,18,20-24,29,35,39-43,54-55H,6-9,17,19,25-28,30-31H2,1-5H3,(H2,53,65)(H,56,67)(H,57,62)(H,58,68)(H,59,69)(H,60,66)(H,61,70)(H,63,64)(H,71,72,73)/t35-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes


J Med Chem 30: 1366-73 (1987)


BindingDB Entry DOI: 10.7270/Q2930WDK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50226896
PNG
(CHEMBL1159915)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)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 |r|
Show InChI InChI=1S/C55H72N10O18S/c1-6-8-18-37(47(71)62-42(28-44(66)67)51(75)60-39(46(56)70)25-31-15-11-10-12-16-31)58-50(74)41(27-33-30-57-36-20-14-13-17-35(33)36)63-53(77)65-48(72)38(19-9-7-2)59-49(73)40(26-32-21-23-34(24-22-32)83-84(79,80)81)61-52(76)43(29-45(68)69)64-54(78)82-55(3,4)5/h10-17,20-24,30,37-43,57H,6-9,18-19,25-29H2,1-5H3,(H2,56,70)(H,58,74)(H,59,73)(H,60,75)(H,61,76)(H,62,71)(H,64,78)(H,66,67)(H,68,69)(H,79,80,81)(H2,63,65,72,77)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes


J Med Chem 30: 1366-73 (1987)


BindingDB Entry DOI: 10.7270/Q2930WDK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50226885
PNG
(CHEMBL1159903)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCCN[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 |r|
Show InChI InChI=1S/C52H71N9O14S/c1-6-8-18-38(57-49(68)42(61-51(70)74-52(3,4)5)28-33-21-23-35(24-22-33)75-76(71,72)73)46(65)55-26-25-54-41(29-34-31-56-37-20-14-13-17-36(34)37)48(67)58-39(19-9-7-2)47(66)60-43(30-44(62)63)50(69)59-40(45(53)64)27-32-15-11-10-12-16-32/h10-17,20-24,31,38-43,54,56H,6-9,18-19,25-30H2,1-5H3,(H2,53,64)(H,55,65)(H,57,68)(H,58,67)(H,59,69)(H,60,66)(H,61,70)(H,62,63)(H,71,72,73)/t38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes


J Med Chem 30: 1366-73 (1987)


BindingDB Entry DOI: 10.7270/Q2930WDK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50227954
PNG
(CHEMBL1160501)
Show SMILES CCCC[C@@H](NC(=O)CC(=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)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)C(CC(O)=O)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C56H74N10O18S/c1-6-8-18-38(50(74)63-42(28-47(69)70)52(76)61-39(49(57)73)25-32-15-11-10-12-16-32)60-51(75)41(27-34-31-58-37-19-14-13-17-36(34)37)59-45(67)30-46(68)65-44(20-9-7-2)66-54(78)40(26-33-21-23-35(24-22-33)84-85(80,81)82)62-53(77)43(29-48(71)72)64-55(79)83-56(3,4)5/h10-17,19,21-24,31,38-44,58H,6-9,18,20,25-30H2,1-5H3,(H2,57,73)(H,59,67)(H,60,75)(H,61,76)(H,62,77)(H,63,74)(H,64,79)(H,65,68)(H,66,78)(H,69,70)(H,71,72)(H,80,81,82)/t38-,39-,40-,41+,42+,43?,44-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes


J Med Chem 32: 2331-9 (1989)


BindingDB Entry DOI: 10.7270/Q2M61NGS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50227957
PNG
(CHEMBL1160492)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)C(CC(O)=O)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)NC(=O)[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C56H74N10O18S/c1-6-8-18-39(61-52(76)41(26-33-21-23-35(24-22-33)84-85(80,81)82)63-54(78)43(28-46(68)69)64-55(79)83-56(3,4)5)50(74)59-31-45(67)60-42(27-34-30-58-38-20-14-13-17-36(34)38)53(77)62-40(19-9-7-2)51(75)66-44(29-47(70)71)65-49(73)37(48(57)72)25-32-15-11-10-12-16-32/h10-17,20-24,30,37,39-44,58H,6-9,18-19,25-29,31H2,1-5H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,77)(H,63,78)(H,64,79)(H,65,73)(H,66,75)(H,68,69)(H,70,71)(H,80,81,82)/t37-,39-,40-,41-,42+,43?,44+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes


J Med Chem 32: 2331-9 (1989)


BindingDB Entry DOI: 10.7270/Q2M61NGS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50226887
PNG
(CHEMBL1159910)
Show SMILES CCCC[C@H](NC[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C52H71N9O14S/c1-6-8-18-39(48(67)60-43(28-45(63)64)50(69)59-41(46(53)65)25-32-15-11-10-12-16-32)55-30-35(27-34-29-54-38-20-14-13-17-37(34)38)57-44(62)31-56-47(66)40(19-9-7-2)58-49(68)42(61-51(70)74-52(3,4)5)26-33-21-23-36(24-22-33)75-76(71,72)73/h10-17,20-24,29,35,39-43,54-55H,6-9,18-19,25-28,30-31H2,1-5H3,(H2,53,65)(H,56,66)(H,57,62)(H,58,68)(H,59,69)(H,60,67)(H,61,70)(H,63,64)(H,71,72,73)/t35-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes


J Med Chem 30: 1366-73 (1987)


BindingDB Entry DOI: 10.7270/Q2930WDK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50227956
PNG
(CHEMBL1160500)
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)NC=O |r|
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-38(57-48(68)40(60-51(71)75-52(3,4)5)25-33-21-23-35(24-22-33)76-77(72,73)74)46(66)54-30-44(63)56-41(27-34-29-53-37-20-14-13-17-36(34)37)49(69)58-39(19-9-7-2)47(67)59-42(28-45(64)65)50(70)61-43(55-31-62)26-32-15-11-10-12-16-32/h10-17,20-24,29,31,38-43,53H,6-9,18-19,25-28,30H2,1-5H3,(H,54,66)(H,55,62)(H,56,63)(H,57,68)(H,58,69)(H,59,67)(H,60,71)(H,61,70)(H,64,65)(H,72,73,74)/t38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes


J Med Chem 32: 2331-9 (1989)


BindingDB Entry DOI: 10.7270/Q2M61NGS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50227950
PNG
(CHEMBL1160486)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)C(CC(O)=O)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)NC(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C55H73N9O17S/c1-6-8-18-39(59-51(73)41(27-34-21-24-36(25-22-34)81-82(77,78)79)61-53(75)43(29-47(67)68)62-54(76)80-55(3,4)5)49(71)57-32-46(66)58-42(28-35-31-56-38-20-14-13-17-37(35)38)52(74)60-40(19-9-7-2)50(72)64-44(30-48(69)70)63-45(65)26-23-33-15-11-10-12-16-33/h10-17,20-22,24-25,31,39-44,56H,6-9,18-19,23,26-30,32H2,1-5H3,(H,57,71)(H,58,66)(H,59,73)(H,60,74)(H,61,75)(H,62,76)(H,63,65)(H,64,72)(H,67,68)(H,69,70)(H,77,78,79)/t39-,40-,41-,42+,43?,44+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes


J Med Chem 32: 2331-9 (1989)


BindingDB Entry DOI: 10.7270/Q2M61NGS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50227958
PNG
(CHEMBL1160488)
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)NC=O |r|
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-38(57-48(68)40(60-51(71)75-52(3,4)5)25-33-21-23-35(24-22-33)76-77(72,73)74)46(66)54-30-44(63)56-41(27-34-29-53-37-20-14-13-17-36(34)37)49(69)58-39(19-9-7-2)47(67)59-42(28-45(64)65)50(70)61-43(55-31-62)26-32-15-11-10-12-16-32/h10-17,20-24,29,31,38-43,53H,6-9,18-19,25-28,30H2,1-5H3,(H,54,66)(H,55,62)(H,56,63)(H,57,68)(H,58,69)(H,59,67)(H,60,71)(H,61,70)(H,64,65)(H,72,73,74)/t38-,39-,40-,41+,42-,43-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes


J Med Chem 32: 2331-9 (1989)


BindingDB Entry DOI: 10.7270/Q2M61NGS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50227951
PNG
(CHEMBL1160499)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C51H68N8O14S/c1-6-8-18-38(56-48(66)40(59-50(68)72-51(3,4)5)27-33-21-24-35(25-22-33)73-74(69,70)71)45(63)53-31-54-46(64)41(28-34-30-52-37-20-14-13-17-36(34)37)58-47(65)39(19-9-7-2)57-49(67)42(29-44(61)62)55-43(60)26-23-32-15-11-10-12-16-32/h10-17,20-22,24-25,30,38-42,52H,6-9,18-19,23,26-29,31H2,1-5H3,(H,53,63)(H,54,64)(H,55,60)(H,56,66)(H,57,67)(H,58,65)(H,59,68)(H,61,62)(H,69,70,71)/t38-,39-,40-,41-,42-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes


J Med Chem 32: 2331-9 (1989)


BindingDB Entry DOI: 10.7270/Q2M61NGS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50226895
PNG
(CHEMBL1159909)
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](CN[C@@H](Cc1ccccc1)C(N)=O)CC(O)=O |r|
Show InChI InChI=1S/C52H71N9O14S/c1-6-8-18-39(59-49(68)42(61-51(70)74-52(3,4)5)26-33-21-23-36(24-22-33)75-76(71,72)73)47(66)56-31-44(62)58-43(27-34-29-54-38-20-14-13-17-37(34)38)50(69)60-40(19-9-7-2)48(67)57-35(28-45(63)64)30-55-41(46(53)65)25-32-15-11-10-12-16-32/h10-17,20-24,29,35,39-43,54-55H,6-9,18-19,25-28,30-31H2,1-5H3,(H2,53,65)(H,56,66)(H,57,67)(H,58,62)(H,59,68)(H,60,69)(H,61,70)(H,63,64)(H,71,72,73)/t35-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes


J Med Chem 30: 1366-73 (1987)


BindingDB Entry DOI: 10.7270/Q2930WDK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019178
PNG
(CHEMBL70883 | {5-(2-Fluoro-phenyl)-3-[(1H-indole-2...)
Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |c:14|
Show InChI InChI=1S/C28H23FN4O4/c1-2-37-24(34)16-33-23-14-8-5-11-19(23)25(18-10-4-6-12-20(18)29)31-26(28(33)36)32-27(35)22-15-17-9-3-7-13-21(17)30-22/h3-15,26,30H,2,16H2,1H3,(H,32,35)
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n/an/a 200n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019187
PNG
((R)-1H-Indole-2-carboxylic acid [5-(2-fluoro-pheny...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C25H19FN4O2/c1-30-21-13-7-4-10-17(21)22(16-9-3-5-11-18(16)26)28-23(25(30)32)29-24(31)20-14-15-8-2-6-12-19(15)27-20/h2-14,23,27H,1H3,(H,29,31)
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n/an/a 300n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367639
PNG
(CHEMBL1907855)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C25H19FN4O2/c1-30-21-13-7-4-10-17(21)22(16-9-3-5-11-18(16)26)28-23(25(30)32)29-24(31)20-14-15-8-2-6-12-19(15)27-20/h2-14,23,27H,1H3,(H,29,31)/t23-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50226888
PNG
(CHEMBL1159904)
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](CN[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)CC(C)C |r|
Show InChI InChI=1S/C52H71N9O14S/c1-7-8-17-39(59-50(69)42(61-51(70)74-52(4,5)6)25-33-19-21-36(22-20-33)75-76(71,72)73)47(66)56-30-44(62)58-43(26-34-28-54-38-18-13-12-16-37(34)38)49(68)57-35(23-31(2)3)29-55-41(27-45(63)64)48(67)60-40(46(53)65)24-32-14-10-9-11-15-32/h9-16,18-22,28,31,35,39-43,54-55H,7-8,17,23-27,29-30H2,1-6H3,(H2,53,65)(H,56,66)(H,57,68)(H,58,62)(H,59,69)(H,60,67)(H,61,70)(H,63,64)(H,71,72,73)/t35-,39-,40-,41-,42-,43-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes


J Med Chem 30: 1366-73 (1987)


BindingDB Entry DOI: 10.7270/Q2930WDK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367648
PNG
(CHEMBL1907661)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)\C=C\c2ccccc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H21N3O2/c1-28-21-15-9-8-14-20(21)23(19-12-6-3-7-13-19)27-24(25(28)30)26-22(29)17-16-18-10-4-2-5-11-18/h2-17,24H,1H3,(H,26,29)/b17-16+/t24-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50452486
PNG
(CHEMBL39263 | Rac-Devazepide)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)
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n/an/a 800n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019237
PNG
(CHEMBL72526 | {1-[5-(2-Fluoro-phenyl)-1-methyl-2-o...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C30H31FN4O4/c1-30(2,3)39-29(38)32-23(18-19-12-6-5-7-13-19)27(36)34-26-28(37)35(4)24-17-11-9-15-21(24)25(33-26)20-14-8-10-16-22(20)31/h5-17,23,26H,18H2,1-4H3,(H,32,38)(H,34,36)/t23-,26?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50227952
PNG
(CHEMBL1160485)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C)C(=O)NCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C52H69N9O15S/c1-6-8-18-38(57-49(69)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-56-47(67)41(27-33-29-54-37-20-14-13-17-35(33)37)60-48(68)39(19-9-7-2)58-50(70)42(28-43(62)63)59-45(65)36(44(53)64)25-31-15-11-10-12-16-31/h10-17,20-24,29,36,38-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,64)(H,55,66)(H,56,67)(H,57,69)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,63)(H,72,73,74)/t36-,38-,39-,40-,41-,42-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated guinea pig brain membranes


J Med Chem 32: 2331-9 (1989)


BindingDB Entry DOI: 10.7270/Q2M61NGS
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019207
PNG
(1-Methyl-1H-indole-2-carboxylic acid [5-(2-fluoro-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3n2C)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C26H21FN4O2/c1-30-20-13-7-3-9-16(20)15-22(30)25(32)29-24-26(33)31(2)21-14-8-5-11-18(21)23(28-24)17-10-4-6-12-19(17)27/h3-15,24H,1-2H3,(H,29,32)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50226894
PNG
(CHEMBL1159905)
Show SMILES CCCC[C@@H](CN[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C51H69N9O14S2/c1-6-7-15-34(29-54-40(27-44(62)63)47(66)59-39(45(52)64)24-31-13-9-8-10-14-31)56-48(67)42(26-33-28-53-37-17-12-11-16-36(33)37)57-43(61)30-55-46(65)38(22-23-75-5)58-49(68)41(60-50(69)73-51(2,3)4)25-32-18-20-35(21-19-32)74-76(70,71)72/h8-14,16-21,28,34,38-42,53-54H,6-7,15,22-27,29-30H2,1-5H3,(H2,52,64)(H,55,65)(H,56,67)(H,57,61)(H,58,68)(H,59,66)(H,60,69)(H,62,63)(H,70,71,72)/t34-,38-,39-,40-,41-,42-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of guinea pig brain membranes


J Med Chem 30: 1366-73 (1987)


BindingDB Entry DOI: 10.7270/Q2930WDK
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019261
PNG
((S)-N-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C25H19FN4O2/c1-30-21-13-7-4-10-17(21)22(16-9-3-5-11-18(16)26)28-23(25(30)32)29-24(31)20-14-15-8-2-6-12-19(15)27-20/h2-14,23,27H,1H3,(H,29,31)/t23-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367624
PNG
(CHEMBL1907841)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C24H17F4N3O2/c1-31-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)29-21(23(31)33)30-22(32)14-10-12-15(13-11-14)24(26,27)28/h2-13,21H,1H3,(H,30,32)/t21-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367629
PNG
(CHEMBL1907856)
Show SMILES COc1cccc(CC(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 |r,t:12|
Show InChI InChI=1S/C25H22FN3O3/c1-29-21-13-6-4-11-19(21)23(18-10-3-5-12-20(18)26)28-24(25(29)31)27-22(30)15-16-8-7-9-17(14-16)32-2/h3-14,24H,15H2,1-2H3,(H,27,30)/t24-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50407251
PNG
(CHEMBL2092869)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)/t21-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019231
PNG
(CHEMBL73946 | N-[5-(2-Fluoro-phenyl)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cccc(I)c2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-12-5-3-10-17(19)20(16-9-2-4-11-18(16)24)26-21(23(28)30)27-22(29)14-7-6-8-15(25)13-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019175
PNG
(CHEMBL305951 | N-[5-(2-Fluoro-phenyl)-1-methyl-2-o...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C24H17F4N3O2/c1-31-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)29-21(23(31)33)30-22(32)14-10-12-15(13-11-14)24(26,27)28/h2-13,21H,1H3,(H,30,32)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019206
PNG
((RS)-[3-(4-Chloro-benzoylamino)-5-(2-fluoro-phenyl...)
Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |c:14|
Show InChI InChI=1S/C26H21ClFN3O4/c1-2-35-22(32)15-31-21-10-6-4-8-19(21)23(18-7-3-5-9-20(18)28)29-24(26(31)34)30-25(33)16-11-13-17(27)14-12-16/h3-14,24H,2,15H2,1H3,(H,30,33)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367645
PNG
(CHEMBL1907666)
Show SMILES COc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 |r,t:12|
Show InChI InChI=1S/C25H22FN3O3/c1-29-21-13-6-4-11-19(21)23(18-10-3-5-12-20(18)26)28-24(25(29)31)27-22(30)15-16-8-7-9-17(14-16)32-2/h3-14,24H,15H2,1-2H3,(H,27,30)/t24-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019180
PNG
((S)-4-tert-Butyl-N-[5-(2-fluoro-phenyl)-1-methyl-2...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C27H26FN3O2/c1-27(2,3)18-15-13-17(14-16-18)25(32)30-24-26(33)31(4)22-12-8-6-10-20(22)23(29-24)19-9-5-7-11-21(19)28/h5-16,24H,1-4H3,(H,30,32)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019210
PNG
(2-Amino-4-chloro-N-(1-methyl-2-oxo-5-phenyl-2,3-di...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2N)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-10-6-5-9-17(19)20(14-7-3-2-4-8-14)26-21(23(28)30)27-22(29)16-12-11-15(24)13-18(16)25/h2-13,21H,25H2,1H3,(H,27,29)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019204
PNG
((R)-4-Bromo-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367642
PNG
(CHEMBL1907846)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2cccc(I)c2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-12-5-3-10-17(19)20(16-9-2-4-11-18(16)24)26-21(23(28)30)27-22(29)14-7-6-8-15(25)13-14/h2-13,21H,1H3,(H,27,29)/t21-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50452488
PNG
(CHEMBL2114102)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C30H31FN4O4/c1-30(2,3)39-29(38)32-23(18-19-12-6-5-7-13-19)27(36)34-26-28(37)35(4)24-17-11-9-15-21(24)25(33-26)20-14-8-10-16-22(20)31/h5-17,23,26H,18H2,1-4H3,(H,32,38)(H,34,36)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019275
PNG
(2-(4-Chloro-phenyl)-N-[5-(2-fluoro-phenyl)-2-oxo-2...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)Cc2ccc(Cl)cc2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C23H17ClFN3O2/c24-15-11-9-14(10-12-15)13-20(29)27-22-23(30)26-19-8-4-2-6-17(19)21(28-22)16-5-1-3-7-18(16)25/h1-12,22H,13H2,(H,26,30)(H,27,29)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367623
PNG
(CHEMBL1907852)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C23H17ClFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)/t21-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367635
PNG
(CHEMBL1907853)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)/t21-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367643
PNG
(CHEMBL1907848)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(I)cc2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)24)26-21(23(28)30)27-22(29)14-10-12-15(25)13-11-14/h2-13,21H,1H3,(H,27,29)/t21-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019260
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-2...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H17FN4O2/c25-17-10-4-2-8-15(17)21-16-9-3-6-12-19(16)27-24(31)22(28-21)29-23(30)20-13-14-7-1-5-11-18(14)26-20/h1-13,22,26H,(H,27,31)(H,29,30)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019273
PNG
(CHEMBL72546 | [3-(2-Chloro-benzoylamino)-5-(2-fluo...)
Show SMILES CCOC(=O)CN1c2ccccc2C(=NC(NC(=O)c2ccccc2Cl)C1=O)c1ccccc1F |c:14|
Show InChI InChI=1S/C26H21ClFN3O4/c1-2-35-22(32)15-31-21-14-8-5-11-18(21)23(17-10-4-7-13-20(17)28)29-24(26(31)34)30-25(33)16-9-3-6-12-19(16)27/h3-14,24H,2,15H2,1H3,(H,30,33)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019224
PNG
(2-Benzo[b]thiophen-4-yl-N-[5-(2-fluoro-phenyl)-2-o...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)Cc2cccc3sccc23)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C25H18FN3O2S/c26-19-9-3-1-7-17(19)23-18-8-2-4-10-20(18)27-25(31)24(29-23)28-22(30)14-15-6-5-11-21-16(15)12-13-32-21/h1-13,24H,14H2,(H,27,31)(H,28,30)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367634
PNG
(CHEMBL1907842)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C24H18F3N3O2/c1-30-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)28-21(23(30)32)29-22(31)16-11-13-17(14-12-16)24(25,26)27/h2-14,21H,1H3,(H,29,31)/t21-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019174
PNG
((R)-4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17ClFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367646
PNG
(CHEMBL1907851)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cccc(Br)c2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C23H17BrFN3O2/c1-28-19-12-5-3-10-17(19)20(16-9-2-4-11-18(16)25)26-21(23(28)30)27-22(29)14-7-6-8-15(24)13-14/h2-13,21H,1H3,(H,27,29)/t21-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50019194
PNG
(4-Chloro-N-[1-(4-chloro-benzoyl)-5-(2-fluoro-pheny...)
Show SMILES Fc1ccccc1C1=NC(NC(=O)c2ccc(Cl)cc2)C(=O)N(C(=O)c2ccc(Cl)cc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C29H18Cl2FN3O3/c30-19-13-9-17(10-14-19)27(36)34-26-29(38)35(28(37)18-11-15-20(31)16-12-18)24-8-4-2-6-22(24)25(33-26)21-5-1-3-7-23(21)32/h1-16,26H,(H,34,36)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
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 |c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367625
PNG
(CHEMBL1907845)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2ccccc2I)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-13-7-4-10-16(19)20(14-8-2-5-11-17(14)24)26-21(23(28)30)27-22(29)15-9-3-6-12-18(15)25/h2-13,21H,1H3,(H,27,29)/t21-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50367626
PNG
(CHEMBL1907850)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C23H17BrFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)/t21-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-8(+) binding to cholecystokinin receptor from guinea pig brain tissue


J Med Chem 31: 2235-46 (1989)


BindingDB Entry DOI: 10.7270/Q2PG1S9K
More data for this
Ligand-Target Pair
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