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Compile Data Set for Download or QSAR

Found 1380 hits of ic50 for UniProtKB: P30551   
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


(RAT)
BDBM50003666
PNG
(3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=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)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(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,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33?,34-,35?,36?/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity against cholecystokinin type A receptor from rat pancreas binding assay


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003669
PNG
(Ac-Tyr(SO3H)-Met-Gly-Trp-Met-R-Dtc-Phe-NH2 | CHEMB...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H63N9O11S4/c1-29(59)53-39(24-31-15-17-33(18-16-31)73(67,68)69)45(63)55-36(19-21-70-4)44(62)52-27-41(60)54-40(25-32-26-51-35-14-10-9-13-34(32)35)46(64)56-37(20-22-71-5)48(66)58-28-72-49(2,3)42(58)47(65)57-38(43(50)61)23-30-11-7-6-8-12-30/h6-18,26,36-40,42,51H,19-25,27-28H2,1-5H3,(H2,50,61)(H,52,62)(H,53,59)(H,54,60)(H,55,63)(H,56,64)(H,57,65)(H,67,68,69)/t36-,37-,38-,39-,40-,42-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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 0.0794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas.


Bioorg Med Chem Lett 3: 871-874 (1993)


Article DOI: 10.1016/S0960-894X(00)80683-6
BindingDB Entry DOI: 10.7270/Q2513Z41
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]- CCK-33 to rat pancreas


J Med Chem 33: 591-5 (1990)


BindingDB Entry DOI: 10.7270/Q29K4BTP
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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James Black Foundation

Curated by ChEMBL


Assay Description
Half maximal inhibition of specific binding of [125I]-Bolton-Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas


J Med Chem 43: 3505-17 (2000)


BindingDB Entry DOI: 10.7270/Q2FQ9XBZ
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Cholecystokinin type A receptor in rat pancreatic tissue


J Med Chem 45: 5609-16 (2002)


BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue


J Med Chem 31: 2235-46 (1989)


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


(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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TBA

Curated by ChEMBL


Assay Description
The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas


Bioorg Med Chem Lett 3: 875-880 (1993)


Article DOI: 10.1016/S0960-894X(00)80684-8
BindingDB Entry DOI: 10.7270/Q21C1WTM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes


Bioorg Med Chem Lett 7: 169-174 (1997)


Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancreas


J Med Chem 32: 13-6 (1989)


BindingDB Entry DOI: 10.7270/Q2MC90MG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50106593
PNG
(CHEMBL135602 | [1-(2-Benzyl-3-oxo-1-thioxo-octahyd...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=S
Show InChI InChI=1S/C31H37N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25?,26+/m1/s1
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Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


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


J Med Chem 44: 4196-206 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50170765
PNG
(CHEMBL363916 | [(S)-1-((4aS,5R)-2-Benzyl-1-mercapt...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(S)N(Cc3ccccc3)C(=O)C[C@@H]12
Show InChI InChI=1S/C31H39N5O4S/c1-31(2,3)40-29(39)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(38)33-24-14-9-15-35-26(24)17-27(37)36(30(35)41)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,30,32,41H,9,14-17,19H2,1-3H3,(H,33,38)(H,34,39)/t24-,25+,26+,30?/m1/s1
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Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


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

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type A receptor of rat pancreas


Bioorg Med Chem Lett 3: 889-894 (1993)


Article DOI: 10.1016/S0960-894X(00)80687-3
BindingDB Entry DOI: 10.7270/Q28G8M63
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor


J Med Chem 34: 404-14 (1991)


BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


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

Curated by ChEMBL


Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor


J Med Chem 34: 404-14 (1991)


BindingDB Entry DOI: 10.7270/Q2RJ4K3V
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


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

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas


J Med Chem 35: 2573-81 (1992)


BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50033600
PNG
(Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMBL...)
Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:14.16,29.32,41.45,1.0,wD:14.15,6.6,3.3,TLB:8:6:44:1.43.2,8:1:9.6.5:44,10:9:1.8.43:3.5.44,THB:2:3:9:1.8.43,2:1:9:3.5.44,(.78,-3.99,;.75,-5.53,;-.6,-6,;-.58,-7.49,;-2.01,-6.93,;.74,-7.97,;2.13,-7.64,;3.09,-4.97,;2.15,-6.11,;1.12,-8.9,;2.61,-9.32,;3.7,-8.22,;3.41,-6.97,;5.18,-8.64,;6.27,-7.55,;4.94,-6.78,;6.3,-6.01,;6.78,-4.56,;5.87,-3.32,;6.78,-2.06,;8.25,-2.55,;9.57,-1.76,;10.91,-2.53,;10.91,-4.09,;9.57,-4.86,;8.25,-4.09,;7.6,-8.32,;8.93,-7.55,;7.6,-9.86,;8.93,-10.63,;10.25,-9.86,;11.79,-9.85,;12.56,-11.18,;12.56,-8.5,;8.93,-12.17,;10.27,-12.94,;10.25,-14.48,;11.58,-15.25,;12.91,-14.48,;12.91,-12.94,;11.59,-12.17,;-.28,-8.34,;-.37,-9.86,;-.29,-6.75,;-1.79,-8.77,)|
Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21-,22+,23-,24+,26-,30?,33+/m1/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50281617
PNG
(Asp Tyr (OSO3H) Met Gly Trp Met Asp Phe | CHEMBL26...)
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](Cc1cc2ccccc2[nH]1)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)24-41(61)62)21-28-12-14-31(15-13-28)75-78(72,73)74)45(67)52-26-40(60)54-38(23-30-22-29-10-6-7-11-33(29)53-30)48(70)56-35(17-19-77-2)46(68)59-39(25-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,22,32,34-39,53H,16-21,23-26,50H2,1-2H3,(H2,51,65)(H,52,67)(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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TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of specific binding of [125I]-Bolton Hunter CCK-8 to Cholecystokinin type A receptor in the rat pancreas


Bioorg Med Chem Lett 3: 667-670 (1993)


Article DOI: 10.1016/S0960-894X(01)81250-6
BindingDB Entry DOI: 10.7270/Q2K937G9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50023142
PNG
(1H-Indole-2-carboxylic acid [6-(2-fluoro-phenyl)-1...)
Show SMILES Cc1nnc2C(NC(=O)c3cc4ccccc4[nH]3)N=C(c3ccccc3F)c3ccccc3-n12 |t:20|
Show InChI InChI=1S/C26H19FN6O/c1-15-31-32-25-24(30-26(34)21-14-16-8-2-6-12-20(16)28-21)29-23(17-9-3-5-11-19(17)27)18-10-4-7-13-22(18)33(15)25/h2-14,24,28H,1H3,(H,30,34)
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Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK from Cholecystokinin receptor of rat pancreas


J Med Chem 31: 176-81 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2VH2
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50026690
PNG
(2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C97H126N20O32S/c1-49(2)39-68(114-95(147)71(43-54-46-101-60-18-11-9-16-57(54)60)116-97(149)73-19-12-37-117(73)75(120)48-103-85(137)58(98)24-30-76(121)122)93(145)110-65(29-35-81(131)132)91(143)109-64(28-34-80(129)130)90(142)108-63(27-33-79(127)128)89(141)107-62(26-32-78(125)126)88(140)106-61(25-31-77(123)124)87(139)104-50(3)84(136)113-69(41-52-20-22-55(118)23-21-52)86(138)102-47-74(119)105-70(42-53-45-100-59-17-10-8-15-56(53)59)94(146)111-66(36-38-150-4)92(144)115-72(44-82(133)134)96(148)112-67(83(99)135)40-51-13-6-5-7-14-51/h5-11,13-18,20-23,45-46,49-50,58,61-73,100-101,118H,12,19,24-44,47-48,98H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,119)(H,106,140)(H,107,141)(H,108,142)(H,109,143)(H,110,145)(H,111,146)(H,112,148)(H,113,136)(H,114,147)(H,115,144)(H,116,149)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t50-,58+,61-,62-,63-,64+,65+,66-,67-,68+,69-,70-,71+,72-,73+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of the binding of [125I]-(Nle11)-HG-13 to Histamine H2 receptor


J Med Chem 27: 1597-601 (1985)


BindingDB Entry DOI: 10.7270/Q29P30PD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50011545
PNG
(CHEMBL430906 | Desamino-Tyr(SO3H)-Met-Gly-Trp-Met-...)
Show SMILES CSCC[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](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H56N8O13S3/c1-67-20-18-33(49-38(54)17-14-27-12-15-30(16-13-27)66-69(63,64)65)42(59)48-26-39(55)50-36(23-29-25-47-32-11-7-6-10-31(29)32)44(61)51-34(19-21-68-2)43(60)53-37(24-40(56)57)45(62)52-35(41(46)58)22-28-8-4-3-5-9-28/h3-13,15-16,25,33-37,47H,14,17-24,26H2,1-2H3,(H2,46,58)(H,48,59)(H,49,54)(H,50,55)(H,51,61)(H,52,62)(H,53,60)(H,56,57)(H,63,64,65)/t33-,34-,35-,36-,37-/m0/s1
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Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propanoyl binding to cholecystokinin type A receptor was determined in fresh rat pancreatic tissue membranes


J Med Chem 34: 1125-36 (1991)


BindingDB Entry DOI: 10.7270/Q27P8XCT
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50456295
PNG
(CHEMBL2111920)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2ccccc2Cl)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C23H19ClN4O2/c1-28-19-14-8-5-11-16(19)20(15-9-3-2-4-10-15)26-21(22(28)29)27-23(30)25-18-13-7-6-12-17(18)24/h2-14,21H,1H3,(H2,25,27,30)/t21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


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


J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


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

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type A receptor of rat pancreas


Bioorg Med Chem Lett 3: 889-894 (1993)


Article DOI: 10.1016/S0960-894X(00)80687-3
BindingDB Entry DOI: 10.7270/Q28G8M63
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


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

Curated by ChEMBL


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


J Med Chem 31: 2235-46 (1989)


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


(RAT)
BDBM50281730
PNG
(4-Chloro-N-((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydr...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C23H18ClN3O2/c1-27-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)25-21(23(27)29)26-22(28)16-11-13-17(24)14-12-16/h2-14,21H,1H3,(H,26,28)/t21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
The compound was tested for its activity to inhibit the binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas


Bioorg Med Chem Lett 3: 875-880 (1993)


Article DOI: 10.1016/S0960-894X(00)80684-8
BindingDB Entry DOI: 10.7270/Q21C1WTM
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50367623
PNG
(CHEMBL1907852)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Cl)cc2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C23H17ClFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)/t21-/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125 I] CCK-8 from Cholecystokinin type A receptor of rat pancreas


J Med Chem 32: 13-6 (1989)


BindingDB Entry DOI: 10.7270/Q2MC90MG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50280834
PNG
(1-((S)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)C1CCCCC1 |c:9|
Show InChI InChI=1S/C24H28N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h6-9,12-15,17,22H,3-5,10-11H2,1-2H3,(H2,25,27,30)/t22-/m1/s1
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n/an/a 0.455n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro test for inhibition of [125I]-CCK binding to Cholecystokinin type A receptor from rat pancreatic tissues was determined


Bioorg Med Chem Lett 3: 1919-1924 (1993)


Article DOI: 10.1016/S0960-894X(01)80987-2
BindingDB Entry DOI: 10.7270/Q23J3CWD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50154434
PNG
((S)-2-((4S,5S)-2-Benzyl-4-methyl-1,3-dioxo-octahyd...)
Show SMILES C[C@H]1C2[C@H](CCCN2C(=O)N(Cc2ccccc2)C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H38N4O4/c1-20-27-25(15-10-16-34(27)30(38)35(28(20)36)19-21-11-6-5-7-12-21)33-26(29(37)39-31(2,3)4)17-22-18-32-24-14-9-8-13-23(22)24/h5-9,11-14,18,20,25-27,32-33H,10,15-17,19H2,1-4H3/t20-,25-,26-,27?/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


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


J Med Chem 47: 5318-29 (2004)


Article DOI: 10.1021/jm0498755
BindingDB Entry DOI: 10.7270/Q2VX0H8G
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Rotta Research Laboratorium

Curated by ChEMBL


Assay Description
Concentration required to inhibit by 50% specific binding of [125I](BH)-CCK-8 to cholecystokinin type A receptor in rat pancreatic acini


J Med Chem 35: 28-38 (1992)


BindingDB Entry DOI: 10.7270/Q2XS5W11
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50170764
PNG
(CHEMBL366344 | [(S)-2-(1H-Indol-3-yl)-1-((4aS,5R)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H37N5O5/c1-34(2,3)44-32(42)37-27(18-22-20-35-25-14-7-6-12-23(22)25)31(41)36-26-15-9-17-38-29(26)19-30(40)39(33(38)43)28-16-8-11-21-10-4-5-13-24(21)28/h4-8,10-14,16,20,26-27,29,35H,9,15,17-19H2,1-3H3,(H,36,41)(H,37,42)/t26-,27+,29+/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 71 pM [125I]BH-(Thr,Nle)CCK-9 binding to rat cholecystokinin 1 receptor


J Med Chem 48: 4842-50 (2005)


Article DOI: 10.1021/jm0501127
BindingDB Entry DOI: 10.7270/Q2WQ03BN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003200
PNG
(CHEMBL267849 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(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/C46H57N9O14S3/c1-70-18-16-32(51-43(62)35(55-46(65)66)21-27-12-14-29(15-13-27)72(67,68)69)41(60)49-25-38(56)50-36(22-28-24-48-31-11-7-6-10-30(28)31)44(63)52-33(17-19-71-2)42(61)54-37(23-39(57)58)45(64)53-34(40(47)59)20-26-8-4-3-5-9-26/h3-15,24,32-37,48,55H,16-23,25H2,1-2H3,(H2,47,59)(H,49,60)(H,50,56)(H,51,62)(H,52,63)(H,53,64)(H,54,61)(H,57,58)(H,65,66)(H,67,68,69)/t32-,33-,34-,35-,36-,37-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of specific [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor in rat pancreatic membran...


J Med Chem 35: 3774-83 (1992)


BindingDB Entry DOI: 10.7270/Q2CC0ZMG
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50003670
PNG
(3-{2-[2-(2-{2-[2-Acetylamino-3-(4-sulfo-phenyl)-pr...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)S(O)(=O)=O)NC(C)=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/C47H59N9O13S3/c1-27(57)51-37(22-29-13-15-31(16-14-29)72(67,68)69)45(64)53-34(17-19-70-2)43(62)50-26-40(58)52-38(23-30-25-49-33-12-8-7-11-32(30)33)46(65)54-35(18-20-71-3)44(63)56-39(24-41(59)60)47(66)55-36(42(48)61)21-28-9-5-4-6-10-28/h4-16,25,34-39,49H,17-24,26H2,1-3H3,(H2,48,61)(H,50,62)(H,51,57)(H,52,58)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,59,60)(H,67,68,69)/t34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Concentration inhibiting [3H]-propanoyl-CCK-8 binding to cholecystokinin type A receptor of rat pancreatic membranes.


J Med Chem 35: 4249-52 (1992)


BindingDB Entry DOI: 10.7270/Q2Z60N07
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50367639
PNG
(CHEMBL1907855)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C25H19FN4O2/c1-30-21-13-7-4-10-17(21)22(16-9-3-5-11-18(16)26)28-23(25(30)32)29-24(31)20-14-15-8-2-6-12-19(15)27-20/h2-14,23,27H,1H3,(H,29,31)/t23-/m1/s1
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n/an/a 0.603n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50290400
PNG
(1H-Indole-2-carboxylic acid [(S)-1-(2-fluoro-pheny...)
Show SMILES Fc1ccccc1C1=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8|
Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m1/s1
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n/an/a 0.670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-Cholecystokinin-8 (125I-CCK-8) binding to Cholecystokinin type A receptor of rat pancreatic membranes


Bioorg Med Chem Lett 7: 169-174 (1997)


Article DOI: 10.1016/S0960-894X(96)00609-9
BindingDB Entry DOI: 10.7270/Q27M07ZF
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-propionyl-CCK-8 to Cholecystokinin type A receptor from rat pancreas


Bioorg Med Chem Lett 6: 967-972 (1996)


Article DOI: 10.1016/0960-894X(96)00160-6
BindingDB Entry DOI: 10.7270/Q2736QWF
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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 0.710n/an/an/an/an/an/a



Insituto de Qu�mica M�dica (CSIC), Juan de la Cierva 3, E-28006 Madrid, Spain.

Curated by ChEMBL


Assay Description
Binding affinity by competitive inhibition of the radioligand [3H]pCCK-8 at Cholecystokinin type A receptor from rat pancreas


J Med Chem 42: 4659-68 (1999)


BindingDB Entry DOI: 10.7270/Q24T6K2B
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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 0.710n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]propionyl-CCK-8 binding to rat pancreatic membranes at Cholecystokinin type A receptor.


J Med Chem 43: 3770-7 (2000)


BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019231
PNG
(CHEMBL73946 | N-[5-(2-Fluoro-phenyl)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cccc(I)c2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-12-5-3-10-17(19)20(16-9-2-4-11-18(16)24)26-21(23(28)30)27-22(29)14-7-6-8-15(25)13-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 0.75n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue


J Med Chem 31: 2235-46 (1989)


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


(RAT)
BDBM50019231
PNG
(CHEMBL73946 | N-[5-(2-Fluoro-phenyl)-1-methyl-2-ox...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cccc(I)c2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-12-5-3-10-17(19)20(16-9-2-4-11-18(16)24)26-21(23(28)30)27-22(29)14-7-6-8-15(25)13-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 0.759n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019181
PNG
((S)-4-Bromo-N-[5-(2-fluoro-phenyl)-1-methyl-2-oxo-...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17BrFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 0.794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50019259
PNG
((S)-N-[5-(2-Fluoro-phenyl)-1-methyl-2-oxo-2,3-dihy...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2ccc(I)cc2)C1=O)c1ccccc1F |c:9|
Show InChI InChI=1S/C23H17FIN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)24)26-21(23(28)30)27-22(29)14-10-12-15(25)13-11-14/h2-13,21H,1H3,(H,27,29)
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n/an/a 0.794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(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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PubMed
n/an/a 0.794n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type A receptor of rat pancreas


J Med Chem 37: 3639-54 (1994)


BindingDB Entry DOI: 10.7270/Q2SB46ZR
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50452486
PNG
(CHEMBL39263 | Rac-Devazepide)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)
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PubMed
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 [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue


J Med Chem 31: 2235-46 (1989)


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


(RAT)
BDBM50367626
PNG
(CHEMBL1907850)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2ccc(Br)cc2)C1=O)c1ccccc1F |r,c:9|
Show InChI InChI=1S/C23H17BrFN3O2/c1-28-19-9-5-3-7-17(19)20(16-6-2-4-8-18(16)25)26-21(23(28)30)27-22(29)14-10-12-15(24)13-11-14/h2-13,21H,1H3,(H,27,29)/t21-/m1/s1
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PubMed
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 [125I]CCK-33 binding to cholecystokinin A receptor from rat pancreatic tissue


J Med Chem 31: 2235-46 (1989)


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


(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
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