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Compile Data Set for Download or QSAR

Found 124 hits of ic50 for UniProtKB: P30553   
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


(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 |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 0.800n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [125I]CCK-8 to Cholecystokinin receptor in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B 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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n/an/a 1.5n/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 rat pancreatic acini


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


(RAT)
BDBM50228290
PNG
(CHEMBL1907959)
Show SMILES [H][C@]1(CCc2ccccc2N(CC(=O)OC(C)(C)C)C1=O)NC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C25H27N3O4/c1-25(2,3)32-22(29)15-28-21-11-7-5-8-16(21)12-13-19(24(28)31)27-23(30)20-14-17-9-4-6-10-18(17)26-20/h4-11,14,19,26H,12-13,15H2,1-3H3,(H,27,30)/t19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50228291
PNG
(CHEMBL296718)
Show SMILES CC(C)(C)OC(=O)CN1c2ccccc2CCC(NCc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C27H30N2O3/c1-27(2,3)32-25(30)18-29-24-11-7-6-9-21(24)14-15-23(26(29)31)28-17-19-12-13-20-8-4-5-10-22(20)16-19/h4-13,16,23,28H,14-15,17-18H2,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [125I]CCK-8 to Cholecystokinin receptor in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50228287
PNG
(CHEMBL1907960)
Show SMILES [H][C@]1(CCc2ccccc2N(CC(=O)OC(C)(C)C)C1=O)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C27H28N2O4/c1-27(2,3)33-24(30)17-29-23-11-7-6-9-19(23)14-15-22(26(29)32)28-25(31)21-13-12-18-8-4-5-10-20(18)16-21/h4-13,16,22H,14-15,17H2,1-3H3,(H,28,31)/t22-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of rat pancreatic acini


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


(RAT)
BDBM50228280
PNG
(CHEMBL47186)
Show SMILES CC(C)(C)OC(=O)CN1c2ccccc2CCC(NC(=O)c2cc3ccccc3[nH]2)C1=O
Show InChI InChI=1S/C25H27N3O4/c1-25(2,3)32-22(29)15-28-21-11-7-5-8-16(21)12-13-19(24(28)31)27-23(30)20-14-17-9-4-6-10-18(17)26-20/h4-11,14,19,26H,12-13,15H2,1-3H3,(H,27,30)
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50018287
PNG
((R)-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2,3,...)
Show SMILES CC(C)(C)OC(=O)CN1c2ccccc2CCC(NC(=O)c2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C27H28N2O4/c1-27(2,3)33-24(30)17-29-23-11-7-6-9-19(23)14-15-22(26(29)32)28-25(31)21-13-12-18-8-4-5-10-20(18)16-21/h4-13,16,22H,14-15,17H2,1-3H3,(H,28,31)
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n/an/a 7.5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [125I]CCK-8 to Cholecystokinin receptor in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of rat pancreatic acini


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


(RAT)
BDBM50380728
PNG
(CHEMBL2017835)
Show SMILES Cc1cc(C)cc(C[C@H]2CCCCN2C(=O)CN2c3ccccc3-n3c(nnc3-c3ccccc3)[C@H](Cc3n[nH]c4ccccc34)C2=O)c1 |r|
Show InChI InChI=1S/C40H39N7O2/c1-26-20-27(2)22-28(21-26)23-30-14-10-11-19-45(30)37(48)25-46-35-17-8-9-18-36(35)47-38(29-12-4-3-5-13-29)43-44-39(47)32(40(46)49)24-34-31-15-6-7-16-33(31)41-42-34/h3-9,12-13,15-18,20-22,30,32H,10-11,14,19,23-25H2,1-2H3,(H,41,42)/t30-,32+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Mayo Clinic

Curated by ChEMBL


Assay Description
Displacement of [125I]-BDZ-1 from rat CCK1R Ala-317,321,325 non dimerizing mutant expressed in COS cells after 60 mins by scintillation counter


J Med Chem 58: 9562-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01110
BindingDB Entry DOI: 10.7270/Q29K4D33
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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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INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated rat pancreatic acini


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


(RAT)
BDBM50329179
PNG
(2-((4S)-4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@H](Cc2c[nH]c3ccccc23)C1=O |r|
Show InChI InChI=1S/C37H34N6O2/c1-25(2)41(23-26-13-5-3-6-14-26)34(44)24-42-32-19-11-12-20-33(32)43-35(27-15-7-4-8-16-27)39-40-36(43)30(37(42)45)21-28-22-38-31-18-10-9-17-29(28)31/h3-20,22,25,30,38H,21,23-24H2,1-2H3/t30-/m0/s1
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Mayo Clinic

Curated by ChEMBL


Assay Description
Displacement of [125I]-BDZ-1 from rat CCK1R Ala-317,321,325 non dimerizing mutant expressed in COS cells after 60 mins by scintillation counter


J Med Chem 58: 9562-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01110
BindingDB Entry DOI: 10.7270/Q29K4D33
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50228283
PNG
(CHEMBL297816)
Show SMILES CC(C)(C)OC(=O)CN1c2ccccc2CCC(NC(=O)c2ccc(Cl)c(Cl)c2)C1=O
Show InChI InChI=1S/C23H24Cl2N2O4/c1-23(2,3)31-20(28)13-27-19-7-5-4-6-14(19)9-11-18(22(27)30)26-21(29)15-8-10-16(24)17(25)12-15/h4-8,10,12,18H,9,11,13H2,1-3H3,(H,26,29)
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n/an/a 28n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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 rat pancreatic acini


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


(RAT)
BDBM50226893
PNG
(CHEMBL1159906)
Show SMILES CCCC[C@H](NC[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)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C51H69N9O14S2/c1-6-7-16-38(47(66)59-42(27-44(62)63)49(68)58-40(45(52)64)24-31-13-9-8-10-14-31)54-29-34(26-33-28-53-37-17-12-11-15-36(33)37)56-43(61)30-55-46(65)39(22-23-75-5)57-48(67)41(60-50(69)73-51(2,3)4)25-32-18-20-35(21-19-32)74-76(70,71)72/h8-15,17-21,28,34,38-42,53-54H,6-7,16,22-27,29-30H2,1-5H3,(H2,52,64)(H,55,65)(H,56,61)(H,57,67)(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 rat pancreatic acini


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


(RAT)
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 rat pancreatic acini


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


(RAT)
BDBM50228284
PNG
(CHEMBL47296)
Show SMILES O=C(NC1CCc2ccccc2N(Cc2ccccc2)C1=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H23N3O2/c30-25(23-16-20-11-4-6-12-21(20)27-23)28-22-15-14-19-10-5-7-13-24(19)29(26(22)31)17-18-8-2-1-3-9-18/h1-13,16,22,27H,14-15,17H2,(H,28,30)
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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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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INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated rat pancreatic acini


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


(RAT)
BDBM50228297
PNG
(CHEMBL43769)
Show SMILES CC(C)(C)OC(=O)CN1c2ccccc2CCCC(NC(=O)c2cc3ccccc3[nH]2)C1=O
Show InChI InChI=1S/C26H29N3O4/c1-26(2,3)33-23(30)16-29-22-14-7-5-9-17(22)11-8-13-20(25(29)32)28-24(31)21-15-18-10-4-6-12-19(18)27-21/h4-7,9-10,12,14-15,20,27H,8,11,13,16H2,1-3H3,(H,28,31)
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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of rat pancreatic acini


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


(RAT)
BDBM50367516
PNG
(CHEMBL1907724)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2cn(C)c3ccccc23)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C26H23N3O/c1-28-17-19(20-12-6-8-14-23(20)28)16-22-26(30)29(2)24-15-9-7-13-21(24)25(27-22)18-10-4-3-5-11-18/h3-15,17,22H,16H2,1-2H3/t22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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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INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated rat pancreatic acini


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


(RAT)
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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INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated rat pancreatic acini


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


(RAT)
BDBM50228298
PNG
(CHEMBL295524)
Show SMILES CCOC(=O)CN1c2ccccc2CCC(NC(=O)c2cc3ccccc3[nH]2)C1=O
Show InChI InChI=1S/C23H23N3O4/c1-2-30-21(27)14-26-20-10-6-4-7-15(20)11-12-18(23(26)29)25-22(28)19-13-16-8-3-5-9-17(16)24-19/h3-10,13,18,24H,2,11-12,14H2,1H3,(H,25,28)
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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50228288
PNG
(CHEMBL294980)
Show SMILES CC(C)(C)OC(=O)CN1c2ccccc2CCC(NC(=O)c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C23H25ClN2O4/c1-23(2,3)30-20(27)14-26-19-7-5-4-6-15(19)10-13-18(22(26)29)25-21(28)16-8-11-17(24)12-9-16/h4-9,11-12,18H,10,13-14H2,1-3H3,(H,25,28)
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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50226892
PNG
(CHEMBL1159911)
Show SMILES CCCC[C@H](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)C(=O)N[C@H](CN[C@@H](Cc1ccccc1)C(N)=O)CC(O)=O |r|
Show InChI InChI=1S/C51H69N9O14S2/c1-6-7-16-38(47(66)56-34(27-44(62)63)29-54-40(45(52)64)24-31-13-9-8-10-14-31)58-49(68)42(26-33-28-53-37-17-12-11-15-36(33)37)57-43(61)30-55-46(65)39(22-23-75-5)59-48(67)41(60-50(69)73-51(2,3)4)25-32-18-20-35(21-19-32)74-76(70,71)72/h8-15,17-21,28,34,38-42,53-54H,6-7,16,22-27,29-30H2,1-5H3,(H2,52,64)(H,55,65)(H,56,66)(H,57,61)(H,58,68)(H,59,67)(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 rat pancreatic acini


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


(RAT)
BDBM50228289
PNG
(CHEMBL2093119)
Show SMILES CC(C)(C)OC(=O)CN1c2ccccc2CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O |r|
Show InChI InChI=1S/C25H27N3O4/c1-25(2,3)32-22(29)15-28-21-11-7-5-8-16(21)12-13-19(24(28)31)27-23(30)20-14-17-9-4-6-10-18(17)26-20/h4-11,14,19,26H,12-13,15H2,1-3H3,(H,27,30)/t19-/m0/s1
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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50228286
PNG
(CHEMBL412881)
Show SMILES CC(C)(C)OC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H25N3O4/c1-24(2,3)31-21(28)14-27-20-11-7-5-9-16(20)13-19(23(27)30)26-22(29)18-12-15-8-4-6-10-17(15)25-18/h4-12,19,25H,13-14H2,1-3H3,(H,26,29)
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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-CCK-8 binding to CCK receptors in rat pancreatic tissue


J Med Chem 32: 1681-5 (1989)


BindingDB Entry DOI: 10.7270/Q21838QJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50225858
PNG
(CHEMBL58215)
Show SMILES [H][C@]12N[C@@H](CC(C)C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2N2C1Nc1ccccc1C2=O
Show InChI InChI=1S/C31H31N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,26,30,32,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,26?,30-,31-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor


J Med Chem 29: 1941-5 (1986)


BindingDB Entry DOI: 10.7270/Q28C9ZFQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50225864
PNG
(CHEMBL60924)
Show SMILES [H][C@]12N(CCCc3ccccc3)[C@@H](CC(C)C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2N2C1Nc1ccccc1C2=O
Show InChI InChI=1S/C40H41N5O4/c1-25(2)23-34-38(48)45-33-21-11-8-18-29(33)40(49,39(45)43(34)22-12-15-26-13-4-3-5-14-26)24-31-35-41-30-19-9-6-16-27(30)37(47)44(35)32-20-10-7-17-28(32)36(46)42-31/h3-11,13-14,16-21,25,31,34-35,39,41,49H,12,15,22-24H2,1-2H3,(H,42,46)/t31-,34-,35?,39-,40-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor


J Med Chem 29: 1941-5 (1986)


BindingDB Entry DOI: 10.7270/Q28C9ZFQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM82388
PNG
(CCK antagonist synthetic 11)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C25H20FN3O/c1-29-23-13-7-4-10-19(23)24(18-9-2-5-11-20(18)26)28-22(25(29)30)14-16-15-27-21-12-6-3-8-17(16)21/h2-13,15,22,27H,14H2,1H3/t22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of rat pancreatic acini


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


(RAT)
BDBM50367541
PNG
(CHEMBL1907742)
Show SMILES CCN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |r,c:10|
Show InChI InChI=1S/C26H22FN3O/c1-2-30-24-14-8-5-11-20(24)25(19-10-3-6-12-21(19)27)29-23(26(30)31)15-17-16-28-22-13-7-4-9-18(17)22/h3-14,16,23,28H,2,15H2,1H3/t23-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50367530
PNG
(CHEMBL1907731)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C25H21N3O/c1-28-23-14-8-6-12-20(23)24(17-9-3-2-4-10-17)27-22(25(28)29)15-18-16-26-21-13-7-5-11-19(18)21/h2-14,16,22,26H,15H2,1H3/t22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM82392
PNG
(CCK antagonist synthetic 13)
Show SMILES OC(=O)CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:12|
Show InChI InChI=1S/C26H20FN3O3/c27-20-10-4-1-8-18(20)25-19-9-3-6-12-23(19)30(15-24(31)32)26(33)22(29-25)13-16-14-28-21-11-5-2-7-17(16)21/h1-12,14,22,28H,13,15H2,(H,31,32)/t22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50367523
PNG
(CHEMBL1907729)
Show SMILES CN1c2ccccc2C(=N[C@H](Cc2cn(C)c3ccccc23)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C26H22FN3O/c1-29-16-17(18-9-4-7-13-23(18)29)15-22-26(31)30(2)24-14-8-5-11-20(24)25(28-22)19-10-3-6-12-21(19)27/h3-14,16,22H,15H2,1-2H3/t22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50225856
PNG
(CHEMBL293744)
Show SMILES [H][C@]12N(CC)[C@@H](CC(C)C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2N2C1Nc1ccccc1C2=O
Show InChI InChI=1S/C33H35N5O4/c1-4-36-27(17-19(2)3)31(41)38-26-16-10-7-13-22(26)33(42,32(36)38)18-24-28-34-23-14-8-5-11-20(23)30(40)37(28)25-15-9-6-12-21(25)29(39)35-24/h5-16,19,24,27-28,32,34,42H,4,17-18H2,1-3H3,(H,35,39)/t24-,27-,28?,32-,33-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor


J Med Chem 29: 1941-5 (1986)


BindingDB Entry DOI: 10.7270/Q28C9ZFQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM82393
PNG
(CCK antagonist synthetic 9)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8|
Show InChI InChI=1S/C24H18FN3O/c25-19-10-4-1-8-17(19)23-18-9-3-6-12-21(18)28-24(29)22(27-23)13-15-14-26-20-11-5-2-7-16(15)20/h1-12,14,22,26H,13H2,(H,28,29)/t22-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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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INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated rat pancreatic acini


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


(RAT)
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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INSERM

Curated by ChEMBL


Assay Description
Ability of compound to Inhibit the binding of [125I]BH-CCK-8 to Cholecystokinin receptor in isolated rat pancreatic acini


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


(RAT)
BDBM50367518
PNG
(CHEMBL1907720)
Show SMILES Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(CCC#N)c2ccccc12 |r,t:8|
Show InChI InChI=1S/C27H21FN4O/c28-22-11-4-1-9-20(22)26-21-10-3-6-13-25(21)32(15-7-14-29)27(33)24(31-26)16-18-17-30-23-12-5-2-8-19(18)23/h1-6,8-13,17,24,30H,7,15-16H2/t24-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]BH-CCK-9 binding to Cholecystokinin receptor of rat pancreatic acini


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


(RAT)
BDBM50225853
PNG
(CHEMBL57915)
Show SMILES [Na+].[H][C@]12N([C@@H](CC(C)C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2N2C1Nc1ccccc1C2=O)C(=O)CCC([O-])=O
Show InChI InChI=1S/C35H35N5O7/c1-19(2)17-27-33(46)40-26-14-8-5-11-22(26)35(47,34(40)38(27)28(41)15-16-29(42)43)18-24-30-36-23-12-6-3-9-20(23)32(45)39(30)25-13-7-4-10-21(25)31(44)37-24/h3-14,19,24,27,30,34,36,47H,15-18H2,1-2H3,(H,37,44)(H,42,43)/p-1/t24-,27-,30?,34-,35-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor


J Med Chem 29: 1941-5 (1986)


BindingDB Entry DOI: 10.7270/Q28C9ZFQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50023140
PNG
(6-(2-Fluoro-phenyl)-4-(1H-indol-3-ylmethyl)-1-meth...)
Show SMILES Cc1nnc2[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:18|
Show InChI InChI=1S/C26H20FN5/c1-16-30-31-26-23(14-17-15-28-22-12-6-3-8-18(17)22)29-25(19-9-2-5-11-21(19)27)20-10-4-7-13-24(20)32(16)26/h2-13,15,23,28H,14H2,1H3/t23-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM82391
PNG
(CCK antagonist synthetic 8)
Show SMILES O=C1Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1 |c:10|
Show InChI InChI=1S/C24H19N3O/c28-24-22(14-17-15-25-20-12-6-4-10-18(17)20)26-23(16-8-2-1-3-9-16)19-11-5-7-13-21(19)27-24/h1-13,15,22,25H,14H2,(H,27,28)/t22-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50019812
PNG
(3-(6-Fluoro-1H-indol-3-ylmethyl)-5-(2-fluoro-pheny...)
Show SMILES Fc1ccc2c(CC3N=C(c4ccccc4F)c4ccccc4NC3=O)c[nH]c2c1 |t:8|
Show InChI InChI=1S/C24H17F2N3O/c25-15-9-10-16-14(13-27-21(16)12-15)11-22-24(30)29-20-8-4-2-6-18(20)23(28-22)17-5-1-3-7-19(17)26/h1-10,12-13,22,27H,11H2,(H,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50225860
PNG
(CHEMBL58216)
Show SMILES [H][C@]12N([C@@H](CC(C)C)C(=O)N1c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2N2C1Nc1ccccc1C2=O)C(=O)C(CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C49H55N7O9/c1-29(2)26-39-44(60)55-38-24-14-11-20-33(38)49(63,27-36-40-51-34-21-12-9-18-31(34)42(58)54(40)37-23-13-10-19-32(37)41(57)52-36)45(55)56(39)43(59)35(53-47(62)65-48(3,4)5)22-15-25-50-46(61)64-28-30-16-7-6-8-17-30/h6-14,16-21,23-24,29,35-36,39-40,45,51,63H,15,22,25-28H2,1-5H3,(H,50,61)(H,52,57)(H,53,62)/t35?,36-,39-,40?,45+,49-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor


J Med Chem 29: 1941-5 (1986)


BindingDB Entry DOI: 10.7270/Q28C9ZFQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50019777
PNG
(7-(9-Hydroxy-2-isobutyl-3-oxo-2,3,9,9a-tetrahydro-...)
Show SMILES CC(C)C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O |r|
Show InChI InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50019777
PNG
(7-(9-Hydroxy-2-isobutyl-3-oxo-2,3,9,9a-tetrahydro-...)
Show SMILES CC(C)C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O |r|
Show InChI InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1
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UniChem

Patents


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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]CCK binding to rat pancreatic Cholecystokinin receptor


J Med Chem 29: 1941-5 (1986)


BindingDB Entry DOI: 10.7270/Q28C9ZFQ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor


(RAT)
BDBM50367544
PNG
(CHEMBL1907719)
Show SMILES OC(=O)CCN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |r,c:13|
Show InChI InChI=1S/C27H22FN3O3/c28-21-10-4-1-8-19(21)26-20-9-3-6-12-24(20)31(14-13-25(32)33)27(34)23(30-26)15-17-16-29-22-11-5-2-7-18(17)22/h1-12,16,23,29H,13-15H2,(H,32,33)/t23-/m1/s1
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UniChem

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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin receptor


J Med Chem 30: 1229-39 (1987)


BindingDB Entry DOI: 10.7270/Q2SF2WS2
More data for this
Ligand-Target Pair
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