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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'marseigne' and Initial = 'i'   
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 A receptor


(Cavia porcellus)
BDBM50016504
PNG
((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...)
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)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to CCK-8 receptor of guinea pig brain


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


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



INSERM

Curated by ChEMBL




J Med Chem 31: 966-70 (1988)


BindingDB Entry DOI: 10.7270/Q2XP775P
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016504
PNG
((S)-3-(2-{[(S)-2-(2-{2-[2-tert-Butoxycarbonylamino...)
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)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016506
PNG
(CHEMBL262687 | Sodium; (4-{2-(2-acetylamino-3-carb...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)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/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016503
PNG
(Boc-Asp-D-Tyr(SO3Na)-Nle-Gly-Trp-Nle-Asp-Phe-NH2 |...)
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)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1
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3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016506
PNG
(CHEMBL262687 | Sodium; (4-{2-(2-acetylamino-3-carb...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)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/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40-,41-,42-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to CCK-8 receptor of guinea pig pancreatic membrane


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016505
PNG
(CHEMBL217767 | Sodium; (4-{2-(2-acetylamino-3-carb...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)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/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1
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16n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016505
PNG
(CHEMBL217767 | Sodium; (4-{2-(2-acetylamino-3-carb...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1ccc(CS([O-])(=O)=O)cc1)NC(C)=O)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/C50H65N9O13S/c1-4-6-16-37(56-48(67)40(54-30(3)60)24-32-19-21-33(22-20-32)29-73(70,71)72)46(65)53-28-43(61)55-41(25-34-27-52-36-18-12-11-15-35(34)36)49(68)57-38(17-7-5-2)47(66)59-42(26-44(62)63)50(69)58-39(45(51)64)23-31-13-9-8-10-14-31/h8-15,18-22,27,37-42,52H,4-7,16-17,23-26,28-29H2,1-3H3,(H2,51,64)(H,53,65)(H,54,60)(H,55,61)(H,56,67)(H,57,68)(H,58,69)(H,59,66)(H,62,63)(H,70,71,72)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1
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19n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig brain


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50016503
PNG
(Boc-Asp-D-Tyr(SO3Na)-Nle-Gly-Trp-Nle-Asp-Phe-NH2 |...)
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)/p-1/t37-,38-,39-,40+,41-,42-/m0/s1
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33n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
The compound was tested for the inhibition of [3H]-Propionyl specific binding to Cholecystokinin 8 receptor of guinea pig pancreatic membrane


J Med Chem 32: 445-9 (1989)


BindingDB Entry DOI: 10.7270/Q2S181GT
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228604
PNG
(CHEMBL3350720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
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54n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL




J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228605
PNG
(CHEMBL3350665)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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93n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228605
PNG
(CHEMBL3350665)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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113n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228603
PNG
(CHEMBL3350278)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
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200n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL




J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228604
PNG
(CHEMBL3350720)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
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230n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL




J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007932
PNG
(Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=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/C56H76N10O16S/c1-8-9-19-39(62-50(73)42(66-54(77)82-56(5,6)7)28-34-22-24-36(25-23-34)83(78,79)80)48(71)60-32-45(67)61-43(29-35-31-59-38-20-14-13-18-37(35)38)51(74)63-40(21-15-26-58-53(76)81-55(2,3)4)49(72)65-44(30-46(68)69)52(75)64-41(47(57)70)27-33-16-11-10-12-17-33/h10-14,16-18,20,22-25,31,39-44,59H,8-9,15,19,21,26-30,32H2,1-7H3,(H2,57,70)(H,58,76)(H,60,71)(H,61,67)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,77)(H,68,69)(H,78,79,80)/t39-,40-,41-,42-,43-,44-/m0/s1
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290n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228605
PNG
(CHEMBL3350665)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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310n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228605
PNG
(CHEMBL3350665)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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340n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50228602
PNG
(CHEMBL3350331)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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340n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228602
PNG
(CHEMBL3350331)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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580n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL




J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007932
PNG
(Boc-Tyr(SO3H)NLe-Gly-Trp-Orn(Z)-Asp-NH2 | CHEMBL23...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=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/C56H76N10O16S/c1-8-9-19-39(62-50(73)42(66-54(77)82-56(5,6)7)28-34-22-24-36(25-23-34)83(78,79)80)48(71)60-32-45(67)61-43(29-35-31-59-38-20-14-13-18-37(35)38)51(74)63-40(21-15-26-58-53(76)81-55(2,3)4)49(72)65-44(30-46(68)69)52(75)64-41(47(57)70)27-33-16-11-10-12-17-33/h10-14,16-18,20,22-25,31,39-44,59H,8-9,15,19,21,26-30,32H2,1-7H3,(H2,57,70)(H,58,76)(H,60,71)(H,61,67)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,77)(H,68,69)(H,78,79,80)/t39-,40-,41-,42-,43-,44-/m0/s1
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660n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007929
PNG
(3-{5-Amino-2-[2-tert-butoxycarbonylamino-3-(1H-ind...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H45N7O8/c1-34(2,3)49-33(48)41-26(17-21-19-37-23-13-8-7-12-22(21)23)31(46)38-24(14-9-15-35)30(45)40-27(18-28(42)43)32(47)39-25(29(36)44)16-20-10-5-4-6-11-20/h4-8,10-13,19,24-27,37H,9,14-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t24-,25-,26-,27-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007933
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCC[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 |r|
Show InChI InChI=1S/C39H53N7O10/c1-38(2,3)55-36(53)41-18-12-17-27(33(50)45-30(21-31(47)48)35(52)44-28(32(40)49)19-23-13-8-7-9-14-23)43-34(51)29(46-37(54)56-39(4,5)6)20-24-22-42-26-16-11-10-15-25(24)26/h7-11,13-16,22,27-30,42H,12,17-21H2,1-6H3,(H2,40,49)(H,41,53)(H,43,51)(H,44,52)(H,45,50)(H,46,54)(H,47,48)
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2.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50228603
PNG
(CHEMBL3350278)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
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4.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL




J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007930
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C30H44N6O9/c1-29(2,3)44-27(42)32-13-9-12-20(25(40)35-21(24(31)39)15-23(37)38)34-26(41)22(36-28(43)45-30(4,5)6)14-17-16-33-19-11-8-7-10-18(17)19/h7-8,10-11,16,20-22,33H,9,12-15H2,1-6H3,(H2,31,39)(H,32,42)(H,34,41)(H,35,40)(H,36,43)(H,37,38)
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4.30E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007933
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCC[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 |r|
Show InChI InChI=1S/C39H53N7O10/c1-38(2,3)55-36(53)41-18-12-17-27(33(50)45-30(21-31(47)48)35(52)44-28(32(40)49)19-23-13-8-7-9-14-23)43-34(51)29(46-37(54)56-39(4,5)6)20-24-22-42-26-16-11-10-15-25(24)26/h7-11,13-16,22,27-30,42H,12,17-21H2,1-6H3,(H2,40,49)(H,41,53)(H,43,51)(H,44,52)(H,45,50)(H,46,54)(H,47,48)
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5.20E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007929
PNG
(3-{5-Amino-2-[2-tert-butoxycarbonylamino-3-(1H-ind...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C34H45N7O8/c1-34(2,3)49-33(48)41-26(17-21-19-37-23-13-8-7-12-22(21)23)31(46)38-24(14-9-15-35)30(45)40-27(18-28(42)43)32(47)39-25(29(36)44)16-20-10-5-4-6-11-20/h4-8,10-13,19,24-27,37H,9,14-18,35H2,1-3H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t24-,25-,26-,27-/m0/s1
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1.40E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50007930
PNG
(3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...)
Show SMILES CC(C)(C)OC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C30H44N6O9/c1-29(2,3)44-27(42)32-13-9-12-20(25(40)35-21(24(31)39)15-23(37)38)34-26(41)22(36-28(43)45-30(4,5)6)14-17-16-33-19-11-8-7-10-18(17)19/h7-8,10-11,16,20-22,33H,9,12-15H2,1-6H3,(H2,31,39)(H,32,42)(H,34,41)(H,35,40)(H,36,43)(H,37,38)
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2.90E+4n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50421881
PNG
(CHEMBL2112488)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50421881
PNG
(CHEMBL2112488)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C25H36N6O7/c1-25(2,3)38-24(37)31-19(11-14-13-28-16-8-5-4-7-15(14)16)23(36)29-17(9-6-10-26)22(35)30-18(21(27)34)12-20(32)33/h4-5,7-8,13,17-19,28H,6,9-12,26H2,1-3H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t17-,18-,19-/m0/s1
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1.00E+6n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes


J Med Chem 33: 3199-204 (1991)


BindingDB Entry DOI: 10.7270/Q2XP73WF
More data for this
Ligand-Target Pair