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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50036310   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50004477
PNG
(CCK7 analogue | CHEMBL269016 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(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/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-39(26-32-28-50-35-18-12-11-15-34(32)35)46(63)54-37(17-7-5-2)48(65)56(3)40(27-43(59)60)47(64)55-38(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50004474
PNG
(CCK7 analogue | CHEMBL316949 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.770n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
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 0.930n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]propionyl-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50004482
PNG
(CCK7 analogue | CHEMBL263742 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(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/C48H62N8O13S/c1-4-6-16-36(52-41(57)24-21-30-19-22-33(23-20-30)69-70(66,67)68)45(62)51-29-42(58)53-38(26-32-28-50-35-18-12-11-15-34(32)35)47(64)54-37(17-7-5-2)46(63)55-39(27-43(59)60)48(65)56(3)40(44(49)61)25-31-13-9-8-10-14-31/h8-15,18-20,22-23,28,36-40,50H,4-7,16-17,21,24-27,29H2,1-3H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,64)(H,55,63)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040523
PNG
((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(41(58)52(5)36(25-37(53)54)40(57)49-34(38(45)55)23-28-16-7-6-8-17-28)48-39(56)35(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,56)(H,49,57)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50007925
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)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/C43H54N8O9/c1-26-14-8-10-18-30(26)50-41(58)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t32-,33-,34-,35-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040523
PNG
((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(41(58)52(5)36(25-37(53)54)40(57)49-34(38(45)55)23-28-16-7-6-8-17-28)48-39(56)35(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,56)(H,49,57)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50004475
PNG
(CCK7 analogue | CHEMBL439591 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H60N8O13S/c1-4-5-14-35(51-40(56)21-18-29-16-19-32(20-17-29)68-69(65,66)67)44(61)50-27-41(57)52-38(24-31-26-49-34-15-10-9-13-33(31)34)46(63)54-37(22-28(2)3)45(62)55-39(25-42(58)59)47(64)53-36(43(48)60)23-30-11-7-6-8-12-30/h6-13,15-17,19-20,26,28,35-39,49H,4-5,14,18,21-25,27H2,1-3H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,64)(H,54,63)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040520
PNG
((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H58N8O9/c1-28-16-10-12-20-32(28)50-43(60)47-23-15-14-22-34(49-40(57)35(51-44(61)62-45(2,3)4)25-30-27-48-33-21-13-11-19-31(30)33)41(58)53(6)37(26-38(54)55)42(59)52(5)36(39(46)56)24-29-17-8-7-9-18-29/h7-13,16-21,27,34-37,48H,14-15,22-26H2,1-6H3,(H2,46,56)(H,49,57)(H,51,61)(H,54,55)(H2,47,50,60)/t34-,35-,36-,37-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040524
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(S)-2-[...)
Show SMILES CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H50N8O7/c1-25-13-7-9-17-29(25)47-40(55)43-20-12-11-19-31(45-37(52)33(42-2)22-27-24-44-30-18-10-8-16-28(27)30)39(54)48(3)34(23-35(49)50)38(53)46-32(36(41)51)21-26-14-5-4-6-15-26/h4-10,13-18,24,31-34,42,44H,11-12,19-23H2,1-3H3,(H2,41,51)(H,45,52)(H,46,53)(H,49,50)(H2,43,47,55)/t31-,32-,33-,34-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040522
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...)
Show SMILES CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H48N8O7/c1-24-12-6-8-16-28(24)47-39(54)42-19-11-10-18-30(44-37(52)32(41-2)21-26-23-43-29-17-9-7-15-27(26)29)36(51)46-33(22-34(48)49)38(53)45-31(35(40)50)20-25-13-4-3-5-14-25/h3-9,12-17,23,30-33,41,43H,10-11,18-22H2,1-2H3,(H2,40,50)(H,44,52)(H,45,53)(H,46,51)(H,48,49)(H2,42,47,54)/t30-,31-,32-,33-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040518
PNG
(3-{2-[2-(2-{2-[2-(tert-Butoxycarbonyl-methyl-amino...)
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(=O)NC
Show InChI InChI=1S/C53H71N9O15S/c1-7-9-19-38(58-49(69)41(62-52(72)76-53(3,4)5)27-33-22-24-35(25-23-33)77-78(73,74)75)47(67)56-31-44(63)57-42(28-34-30-55-37-21-15-14-18-36(34)37)50(70)59-39(20-10-8-2)48(68)61-43(29-45(64)65)51(71)60-40(46(66)54-6)26-32-16-12-11-13-17-32/h11-18,21-25,30,38-43,55H,7-10,19-20,26-29,31H2,1-6H3,(H,54,66)(H,56,67)(H,57,63)(H,58,69)(H,59,70)(H,60,71)(H,61,68)(H,62,72)(H,64,65)(H,73,74,75)/p-1/t38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]propionyl-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040528
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CN(CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)52(5)22-14-13-21-33(39(56)49-36(25-37(53)54)41(58)48-34(38(45)55)23-28-16-7-6-8-17-28)47-40(57)35(51-43(60)61-44(2,3)4)24-29-26-46-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,46H,13-14,21-25H2,1-5H3,(H2,45,55)(H,47,57)(H,48,58)(H,49,56)(H,50,59)(H,51,60)(H,53,54)/t33-,34-,35-,36-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040521
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H58N8O9/c1-28-16-10-12-20-32(28)51-43(60)46-23-15-14-22-34(48-40(57)35(52-44(61)62-45(2,3)4)25-30-27-47-33-21-13-11-19-31(30)33)39(56)49-36(26-38(54)55)41(58)50-37(42(59)53(5)6)24-29-17-8-7-9-18-29/h7-13,16-21,27,34-37,47H,14-15,22-26H2,1-6H3,(H,48,57)(H,49,56)(H,50,58)(H,52,61)(H,54,55)(H2,46,51,60)/t34-,35-,36-,37-/m0/s1
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n/an/a 117n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50004490
PNG
(CCK7 analogue | CHEMBL412238 | N-(1-Carbamoyl-2-ph...)
Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H62N8O13S/c1-5-6-15-36(52-41(57)22-19-30-17-20-33(21-18-30)69-70(66,67)68)45(62)51-28-42(58)53-39(25-32-27-50-35-16-11-10-14-34(32)35)48(65)56(4)40(23-29(2)3)47(64)55-38(26-43(59)60)46(63)54-37(44(49)61)24-31-12-8-7-9-13-31/h7-14,16-18,20-21,27,29,36-40,50H,5-6,15,19,22-26,28H2,1-4H3,(H2,49,61)(H,51,62)(H,52,57)(H,53,58)(H,54,63)(H,55,64)(H,59,60)(H,66,67,68)/t36-,37-,38-,39-,40-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040529
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)51-42(59)46-22-14-13-21-33(39(56)50-36(25-37(53)54)41(58)49-34(38(55)45-5)23-28-16-7-6-8-17-28)48-40(57)35(52-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t33-,34-,35-,36-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040520
PNG
((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H58N8O9/c1-28-16-10-12-20-32(28)50-43(60)47-23-15-14-22-34(49-40(57)35(51-44(61)62-45(2,3)4)25-30-27-48-33-21-13-11-19-31(30)33)41(58)53(6)37(26-38(54)55)42(59)52(5)36(39(46)56)24-29-17-8-7-9-18-29/h7-13,16-21,27,34-37,48H,14-15,22-26H2,1-6H3,(H2,46,56)(H,49,57)(H,51,61)(H,54,55)(H2,47,50,60)/t34-,35-,36-,37-/m0/s1
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n/an/a 427n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040525
PNG
((S)-3-[(S)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-am...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)51-42(59)46-22-14-13-21-33(39(56)50-35(25-37(53)54)40(57)49-34(38(45)55)23-28-16-7-6-8-17-28)48-41(58)36(52(5)43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,58)(H,49,57)(H,50,56)(H,53,54)(H2,46,51,59)/t33-,34-,35-,36-/m0/s1
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n/an/a 567n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Cavia porcellus)
BDBM50040517
PNG
((S)-3-{[(S)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-a...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C45H58N8O9/c1-28-16-10-12-20-32(28)51-43(60)47-23-15-14-22-34(42(59)52(5)37(26-38(54)55)41(58)50-35(39(46)56)24-29-17-8-7-9-18-29)49-40(57)36(53(6)44(61)62-45(2,3)4)25-30-27-48-33-21-13-11-19-31(30)33/h7-13,16-21,27,34-37,48H,14-15,22-26H2,1-6H3,(H2,46,56)(H,49,57)(H,50,58)(H,54,55)(H2,47,51,60)/t34-,35-,36-,37-/m0/s1
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n/an/a 707n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040528
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CN(CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)52(5)22-14-13-21-33(39(56)49-36(25-37(53)54)41(58)48-34(38(45)55)23-28-16-7-6-8-17-28)47-40(57)35(51-43(60)61-44(2,3)4)24-29-26-46-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,46H,13-14,21-25H2,1-5H3,(H2,45,55)(H,47,57)(H,48,58)(H,49,56)(H,50,59)(H,51,60)(H,53,54)/t33-,34-,35-,36-/m0/s1
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n/an/a 775n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50007925
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES Cc1ccccc1NC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)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/C43H54N8O9/c1-26-14-8-10-18-30(26)50-41(58)45-21-13-12-20-32(38(55)49-35(24-36(52)53)40(57)48-33(37(44)54)22-27-15-6-5-7-16-27)47-39(56)34(51-42(59)60-43(2,3)4)23-28-25-46-31-19-11-9-17-29(28)31/h5-11,14-19,25,32-35,46H,12-13,20-24H2,1-4H3,(H2,44,54)(H,47,56)(H,48,57)(H,49,55)(H,51,59)(H,52,53)(H2,45,50,58)/t32-,33-,34-,35-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040522
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...)
Show SMILES CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H48N8O7/c1-24-12-6-8-16-28(24)47-39(54)42-19-11-10-18-30(44-37(52)32(41-2)21-26-23-43-29-17-9-7-15-27(26)29)36(51)46-33(22-34(48)49)38(53)45-31(35(40)50)20-25-13-4-3-5-14-25/h3-9,12-17,23,30-33,41,43H,10-11,18-22H2,1-2H3,(H2,40,50)(H,44,52)(H,45,53)(H,46,51)(H,48,49)(H2,42,47,54)/t30-,31-,32-,33-/m0/s1
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n/an/a 3.72E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040529
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)51-42(59)46-22-14-13-21-33(39(56)50-36(25-37(53)54)41(58)49-34(38(55)45-5)23-28-16-7-6-8-17-28)48-40(57)35(52-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t33-,34-,35-,36-/m0/s1
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n/an/a 4.25E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040523
PNG
((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(41(58)52(5)36(25-37(53)54)40(57)49-34(38(45)55)23-28-16-7-6-8-17-28)48-39(56)35(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,56)(H,49,57)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040525
PNG
((S)-3-[(S)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-am...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)51-42(59)46-22-14-13-21-33(39(56)50-35(25-37(53)54)40(57)49-34(38(45)55)23-28-16-7-6-8-17-28)48-41(58)36(52(5)43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,58)(H,49,57)(H,50,56)(H,53,54)(H2,46,51,59)/t33-,34-,35-,36-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040517
PNG
((S)-3-{[(S)-2-[(S)-2-(tert-Butoxycarbonyl-methyl-a...)
Show SMILES CN([C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C45H58N8O9/c1-28-16-10-12-20-32(28)51-43(60)47-23-15-14-22-34(42(59)52(5)37(26-38(54)55)41(58)50-35(39(46)56)24-29-17-8-7-9-18-29)49-40(57)36(53(6)44(61)62-45(2,3)4)25-30-27-48-33-21-13-11-19-31(30)33/h7-13,16-21,27,34-37,48H,14-15,22-26H2,1-6H3,(H2,46,56)(H,49,57)(H,50,58)(H,54,55)(H2,47,51,60)/t34-,35-,36-,37-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040521
PNG
((S)-3-[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H58N8O9/c1-28-16-10-12-20-32(28)51-43(60)46-23-15-14-22-34(48-40(57)35(52-44(61)62-45(2,3)4)25-30-27-47-33-21-13-11-19-31(30)33)39(56)49-36(26-38(54)55)41(58)50-37(42(59)53(5)6)24-29-17-8-7-9-18-29/h7-13,16-21,27,34-37,47H,14-15,22-26H2,1-6H3,(H,48,57)(H,49,56)(H,50,58)(H,52,61)(H,54,55)(H2,46,51,60)/t34-,35-,36-,37-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040523
PNG
((S)-3-{[(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1...)
Show SMILES CN([C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(41(58)52(5)36(25-37(53)54)40(57)49-34(38(45)55)23-28-16-7-6-8-17-28)48-39(56)35(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,56)(H,49,57)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50040524
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-{[(S)-2-[...)
Show SMILES CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N(C)[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C40H50N8O7/c1-25-13-7-9-17-29(25)47-40(55)43-20-12-11-19-31(45-37(52)33(42-2)22-27-24-44-30-18-10-8-16-28(27)30)39(54)48(3)34(23-35(49)50)38(53)46-32(36(41)51)21-26-14-5-4-6-15-26/h4-10,13-18,24,31-34,42,44H,11-12,19-23H2,1-3H3,(H2,41,51)(H,45,52)(H,46,53)(H,49,50)(H2,43,47,55)/t31-,32-,33-,34-/m0/s1
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n/an/a 6.92E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type B receptor in guinea pig cortex


J Med Chem 37: 630-5 (1994)


BindingDB Entry DOI: 10.7270/Q23X878C
More data for this
Ligand-Target Pair