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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'cenarruzabeitia' and Initial = 'e'   
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


(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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n/an/a 0.0900n/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


J Med Chem 44: 4196-206 (2001)


Article DOI: 10.1021/jm010898i
BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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


(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
Show InChI InChI=1/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-/s2
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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)


Article DOI: 10.1021/jm000959x
BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
Cholecystokinin 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
Show InChI InChI=1/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-/s2
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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)


Article DOI: 10.1021/jm991078x
BindingDB Entry DOI: 10.7270/Q24T6K2B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50154426
PNG
((S)-2-((4R,5R)-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)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1
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n/an/a 0.960n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of 125I]-BH-(Thr,Nle)-CCK-9 binding to human CCK2 receptor expressed in COS-7 cells


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


(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 1n/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)


Article DOI: 10.1021/jm991078x
BindingDB Entry DOI: 10.7270/Q24T6K2B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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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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)


Article DOI: 10.1021/jm010898i
BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(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 1.04n/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


(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 1.04n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


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


J Med Chem 44: 2219-28 (2001)


Article DOI: 10.1021/jm010813d
BindingDB Entry DOI: 10.7270/Q2M32WG1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50089106
PNG
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES Cc1ccccc1NC(=O)NCCCCC(CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C38H49N5O6/c1-23-9-3-5-12-31(23)42-36(47)39-14-8-7-10-29(20-33(44)45)41-35(46)38(2,21-28-22-40-32-13-6-4-11-30(28)32)43-37(48)49-34-26-16-24-15-25(18-26)19-27(34)17-24/h3-6,9,11-13,22,24-27,29,34,40H,7-8,10,14-21H2,1-2H3,(H,41,46)(H,43,48)(H,44,45)(H2,39,42,47)/t24?,25?,26?,27?,29?,34?,38-/m1/s1
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Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 specific binding to rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 12: 109-12 (2001)


Article DOI: 10.1016/s0960-894x(01)00630-8
BindingDB Entry DOI: 10.7270/Q2P84B5G
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50106588
PNG
(CHEMBL133446 | [1-(2-Benzyl-1,3-dithioxo-octahydro...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=S)N(Cc1ccccc1)C2=S
Show InChI InChI=1S/C31H37N5O3S2/c1-31(2,3)39-29(38)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(37)33-24-14-9-15-35-26(24)17-27(40)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,33,37)(H,34,38)/t24-,25?,26+/m1/s1
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n/an/a 1.34n/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


J Med Chem 44: 4196-206 (2001)


Article DOI: 10.1021/jm010898i
BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50106591
PNG
(CHEMBL337620 | [1-(2-Benzyl-1,3-dioxo-4a(S)-octahy...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(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)40)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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n/an/a 1.59n/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


J Med Chem 44: 4196-206 (2001)


Article DOI: 10.1021/jm010898i
BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50154435
PNG
((S)-2-((S)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)38-28(36)25(16-21-18-31-23-13-8-7-12-22(21)23)32-24-14-9-15-33-26(24)17-27(35)34(29(33)37)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,31-32H,9,14-17,19H2,1-3H3/t24-,25-,26?/m0/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 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


(RAT)
BDBM50092567
PNG
((2R,5R,11bS,1'S)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C32H30N4O6/c37-29(34-25(31(39)40)15-19-9-3-1-4-10-19)27-16-22-21-13-7-8-14-23(21)33-28(22)26-17-24(30(38)36(26)27)35-32(41)42-18-20-11-5-2-6-12-20/h1-14,24-27,33H,15-18H2,(H,34,37)(H,35,41)(H,39,40)/t24-,25+,26+,27-/m1/s1
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Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 specific binding to rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 12: 109-12 (2001)


Article DOI: 10.1016/s0960-894x(01)00630-8
BindingDB Entry DOI: 10.7270/Q2P84B5G
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50006875
PNG
(CHEMBL263969 | N-{(S)-2-[(R)-2-(Adamantan-2-yloxyc...)
Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1
Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35?/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 binding to mouse cerebral cortex membrane cholecystokinin-B (CCK-B) receptor


Bioorg Med Chem Lett 9: 43-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00677-5
BindingDB Entry DOI: 10.7270/Q2XP743J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50092567
PNG
((2R,5R,11bS,1'S)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C32H30N4O6/c37-29(34-25(31(39)40)15-19-9-3-1-4-10-19)27-16-22-21-13-7-8-14-23(21)33-28(22)26-17-24(30(38)36(26)27)35-32(41)42-18-20-11-5-2-6-12-20/h1-14,24-27,33H,15-18H2,(H,34,37)(H,35,41)(H,39,40)/t24-,25+,26+,27-/m1/s1
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n/an/a 1.70n/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)


Article DOI: 10.1021/jm000959x
BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50092567
PNG
((2R,5R,11bS,1'S)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C32H30N4O6/c37-29(34-25(31(39)40)15-19-9-3-1-4-10-19)27-16-22-21-13-7-8-14-23(21)33-28(22)26-17-24(30(38)36(26)27)35-32(41)42-18-20-11-5-2-6-12-20/h1-14,24-27,33H,15-18H2,(H,34,37)(H,35,41)(H,39,40)/t24-,25+,26+,27-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]propionylCCK8 from rat pancreatic CCK1


J Med Chem 48: 7667-74 (2005)


Article DOI: 10.1021/jm050689o
BindingDB Entry DOI: 10.7270/Q2QJ7GV9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50073729
PNG
((R)-3-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1
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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n/an/a 2.80n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 binding to rat pancreas cholecystokinin-A (CCK-A) receptor


Bioorg Med Chem Lett 9: 43-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00677-5
BindingDB Entry DOI: 10.7270/Q2XP743J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50106597
PNG
(CHEMBL133983 | [1-(2-Benzyl-1-oxo-3-thioxo-octahyd...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@H]1CC(=S)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O4S/c1-31(2,3)40-29(38)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(37)33-24-14-9-15-35-26(24)17-27(41)36(30(35)39)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,37)(H,34,38)/t24-,25?,26+/m1/s1
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n/an/a 2.83n/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


J Med Chem 44: 4196-206 (2001)


Article DOI: 10.1021/jm010898i
BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50154428
PNG
((S)-2-[(S)-2-(4-Dimethylamino-phenyl)-1,3-dioxo-oc...)
Show SMILES CN(C)c1ccc(cc1)N1C(=O)CC2[C@H](CCCN2C1=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-29(38)26(17-20-19-32-24-10-7-6-9-23(20)24)33-25-11-8-16-35-27(25)18-28(37)36(30(35)39)22-14-12-21(13-15-22)34(4)5/h6-7,9-10,12-15,19,25-27,32-33H,8,11,16-18H2,1-5H3/t25-,26-,27?/m0/s1
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n/an/a 4.30n/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


(RAT)
BDBM50092578
PNG
((2S,5S,11bR,1'S)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C32H30N4O6/c37-29(34-25(31(39)40)15-19-9-3-1-4-10-19)27-16-22-21-13-7-8-14-23(21)33-28(22)26-17-24(30(38)36(26)27)35-32(41)42-18-20-11-5-2-6-12-20/h1-14,24-27,33H,15-18H2,(H,34,37)(H,35,41)(H,39,40)/t24-,25-,26+,27-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]propionylCCK8 from rat pancreatic CCK1


J Med Chem 48: 7667-74 (2005)


Article DOI: 10.1021/jm050689o
BindingDB Entry DOI: 10.7270/Q2QJ7GV9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50092578
PNG
((2S,5S,11bR,1'S)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C32H30N4O6/c37-29(34-25(31(39)40)15-19-9-3-1-4-10-19)27-16-22-21-13-7-8-14-23(21)33-28(22)26-17-24(30(38)36(26)27)35-32(41)42-18-20-11-5-2-6-12-20/h1-14,24-27,33H,15-18H2,(H,34,37)(H,35,41)(H,39,40)/t24-,25-,26+,27-/m0/s1
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n/an/a 4.70n/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)


Article DOI: 10.1021/jm000959x
BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50092578
PNG
((2S,5S,11bR,1'S)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C32H30N4O6/c37-29(34-25(31(39)40)15-19-9-3-1-4-10-19)27-16-22-21-13-7-8-14-23(21)33-28(22)26-17-24(30(38)36(26)27)35-32(41)42-18-20-11-5-2-6-12-20/h1-14,24-27,33H,15-18H2,(H,34,37)(H,35,41)(H,39,40)/t24-,25-,26+,27-/m0/s1
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Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 specific binding to rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 12: 109-12 (2001)


Article DOI: 10.1016/s0960-894x(01)00630-8
BindingDB Entry DOI: 10.7270/Q2P84B5G
More data for this
Ligand-Target Pair
CCKBR


(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 5.60n/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 B receptor from rat cerebral cortex membrane


J Med Chem 42: 4659-68 (1999)


Article DOI: 10.1021/jm991078x
BindingDB Entry DOI: 10.7270/Q24T6K2B
More data for this
Ligand-Target Pair
CCKBR


(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 5.60n/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 B receptor of rat cerebral cortex 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
CCKBR


(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 5.60n/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 B receptor of rat cerebral cortex


J Med Chem 44: 4196-206 (2001)


Article DOI: 10.1021/jm010898i
BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
CCKBR


(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 5.60n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]pCCK-8 specific binding cholecystokinin type B receptor in rat cerebral cortex membranes


J Med Chem 44: 2219-28 (2001)


Article DOI: 10.1021/jm010813d
BindingDB Entry DOI: 10.7270/Q2M32WG1
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50089106
PNG
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES Cc1ccccc1NC(=O)NCCCCC(CC(O)=O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C38H49N5O6/c1-23-9-3-5-12-31(23)42-36(47)39-14-8-7-10-29(20-33(44)45)41-35(46)38(2,21-28-22-40-32-13-6-4-11-30(28)32)43-37(48)49-34-26-16-24-15-25(18-26)19-27(34)17-24/h3-6,9,11-13,22,24-27,29,34,40H,7-8,10,14-21H2,1-2H3,(H,41,46)(H,43,48)(H,44,45)(H2,39,42,47)/t24?,25?,26?,27?,29?,34?,38-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 specific binding to rat cerebral cortex membranes Cholecystokinin type B receptor


Bioorg Med Chem Lett 12: 109-12 (2001)


Article DOI: 10.1016/s0960-894x(01)00630-8
BindingDB Entry DOI: 10.7270/Q2P84B5G
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50073721
PNG
((2S,5S,11bR,1'R)-3-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C33H32N4O6/c38-29(39)16-22(15-20-9-3-1-4-10-20)34-31(40)28-17-24-23-13-7-8-14-25(23)35-30(24)27-18-26(32(41)37(27)28)36-33(42)43-19-21-11-5-2-6-12-21/h1-14,22,26-28,35H,15-19H2,(H,34,40)(H,36,42)(H,38,39)/t22-,26+,27-,28+/m1/s1
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n/an/a 7.40n/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)


Article DOI: 10.1021/jm000959x
BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50073721
PNG
((2S,5S,11bR,1'R)-3-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C33H32N4O6/c38-29(39)16-22(15-20-9-3-1-4-10-20)34-31(40)28-17-24-23-13-7-8-14-25(23)35-30(24)27-18-26(32(41)37(27)28)36-33(42)43-19-21-11-5-2-6-12-21/h1-14,22,26-28,35H,15-19H2,(H,34,40)(H,36,42)(H,38,39)/t22-,26+,27-,28+/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 binding to rat pancreas cholecystokinin-A (CCK-A) receptor


Bioorg Med Chem Lett 9: 43-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00677-5
BindingDB Entry DOI: 10.7270/Q2XP743J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50108182
PNG
((S)-3-[((2R,5R,11bS)-2-Benzyloxycarbonylamino-3-ox...)
Show SMILES Cc1ccccc1NC(=O)NCCCC[C@@H](CC(O)=O)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C38H42N6O7/c1-23-11-5-7-16-28(23)42-37(49)39-18-10-9-14-25(19-33(45)46)40-35(47)32-20-27-26-15-6-8-17-29(26)41-34(27)31-21-30(36(48)44(31)32)43-38(50)51-22-24-12-3-2-4-13-24/h2-8,11-13,15-17,25,30-32,41H,9-10,14,18-22H2,1H3,(H,40,47)(H,43,50)(H,45,46)(H2,39,42,49)/t25-,30+,31-,32+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 specific binding to rat pancreatic Cholecystokinin type A receptor


Bioorg Med Chem Lett 12: 109-12 (2001)


Article DOI: 10.1016/s0960-894x(01)00630-8
BindingDB Entry DOI: 10.7270/Q2P84B5G
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50073727
PNG
((S)-3-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1
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-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 binding to mouse cerebral cortex membrane cholecystokinin-B (CCK-B) receptor


Bioorg Med Chem Lett 9: 43-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00677-5
BindingDB Entry DOI: 10.7270/Q2XP743J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50106589
PNG
(CHEMBL132467 | [1-(2-Benzyl-1-oxo-3-thioxo-octahyd...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=S)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O4S/c1-31(2,3)40-29(38)34-25(16-21-18-32-23-13-8-7-12-22(21)23)28(37)33-24-14-9-15-35-26(24)17-27(41)36(30(35)39)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,32H,9,14-17,19H2,1-3H3,(H,33,37)(H,34,38)/t24-,25?,26+/m0/s1
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n/an/a 13.8n/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


J Med Chem 44: 4196-206 (2001)


Article DOI: 10.1021/jm010898i
BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50100686
PNG
(CHEMBL71996 | {2-(1H-Indol-3-yl)-1-[2-(4-methoxy-p...)
Show SMILES COc1ccc(cc1)N1C(=O)CC2C(CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H37N5O6/c1-31(2,3)42-29(39)34-25(16-19-18-32-23-9-6-5-8-22(19)23)28(38)33-24-10-7-15-35-26(24)17-27(37)36(30(35)40)20-11-13-21(41-4)14-12-20/h5-6,8-9,11-14,18,24-26,32H,7,10,15-17H2,1-4H3,(H,33,38)(H,34,39)/t24?,25-,26?/m0/s1
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n/an/a 15.9n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (CSIC)

Curated by ChEMBL


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


J Med Chem 44: 2219-28 (2001)


Article DOI: 10.1021/jm010813d
BindingDB Entry DOI: 10.7270/Q2M32WG1
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50106596
PNG
(CHEMBL132938 | [1-(2-Benzyl-1,3-dioxo-4a(R)-octahy...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(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)40)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+/m0/s1
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n/an/a 22.7n/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


J Med Chem 44: 4196-206 (2001)


Article DOI: 10.1021/jm010898i
BindingDB Entry DOI: 10.7270/Q2TD9Z23
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50154438
PNG
((S)-2-((R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2...)
Show SMILES CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCN2C1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C30H36N4O4/c1-30(2,3)38-28(36)25(16-21-18-31-23-13-8-7-12-22(21)23)32-24-14-9-15-33-26(24)17-27(35)34(29(33)37)19-20-10-5-4-6-11-20/h4-8,10-13,18,24-26,31-32H,9,14-17,19H2,1-3H3/t24-,25+,26?/m1/s1
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n/an/a 22.7n/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


(RAT)
BDBM50082644
PNG
(CHEMBL356765 | [1-((4aS,5S)-2-Benzyl-1,3-dioxo-oct...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C31H37N5O5/c1-31(2,3)41-29(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)40)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-/m0/s1
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n/an/a 23n/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)


Article DOI: 10.1021/jm991078x
BindingDB Entry DOI: 10.7270/Q24T6K2B
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50011196
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O
Show InChI InChI=1/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)
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n/an/a 25n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]propionylCCK8 from rat cerebral cortex CCK2


J Med Chem 48: 7667-74 (2005)


Article DOI: 10.1021/jm050689o
BindingDB Entry DOI: 10.7270/Q2QJ7GV9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50177867
PNG
((2R,5R,11bS,1'S)-2-[Nalpha-(tert-butoxycarbonyl)-D...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1C[C@@H]2N([C@H](Cc3c2[nH]c2ccccc32)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
Show InChI InChI=1S/C40H43N7O6/c1-40(2,3)53-39(52)46-30(18-23-21-42-27-15-9-7-13-24(23)27)36(49)45-31-20-32-34-26(25-14-8-10-16-28(25)43-34)19-33(47(32)38(31)51)37(50)44-29(35(41)48)17-22-11-5-4-6-12-22/h4-16,21,29-33,42-43H,17-20H2,1-3H3,(H2,41,48)(H,44,50)(H,45,49)(H,46,52)/t29-,30+,31+,32-,33+/m0/s1
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n/an/a 25.9n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]propionylCCK8 from rat pancreatic CCK1


J Med Chem 48: 7667-74 (2005)


Article DOI: 10.1021/jm050689o
BindingDB Entry DOI: 10.7270/Q2QJ7GV9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50092573
PNG
((2S,5S,11bR,1'S)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C33H32N4O6/c1-42-32(40)26(16-20-10-4-2-5-11-20)35-30(38)28-17-23-22-14-8-9-15-24(22)34-29(23)27-18-25(31(39)37(27)28)36-33(41)43-19-21-12-6-3-7-13-21/h2-15,25-28,34H,16-19H2,1H3,(H,35,38)(H,36,41)/t25-,26-,27+,28-/m0/s1
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n/an/a 48n/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)


Article DOI: 10.1021/jm000959x
BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50177870
PNG
((2R,5R,11bS,1'S)-2-[Nalpha-(tert-butoxycarbonyl)-L...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1C[C@@H]2N([C@H](Cc3c2[nH]c2ccccc32)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1=O
Show InChI InChI=1S/C40H43N7O6/c1-40(2,3)53-39(52)46-30(18-23-21-42-27-15-9-7-13-24(23)27)36(49)45-31-20-32-34-26(25-14-8-10-16-28(25)43-34)19-33(47(32)38(31)51)37(50)44-29(35(41)48)17-22-11-5-4-6-12-22/h4-16,21,29-33,42-43H,17-20H2,1-3H3,(H2,41,48)(H,44,50)(H,45,49)(H,46,52)/t29-,30-,31+,32-,33+/m0/s1
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n/an/a 54.9n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]propionylCCK8 from rat pancreatic CCK1


J Med Chem 48: 7667-74 (2005)


Article DOI: 10.1021/jm050689o
BindingDB Entry DOI: 10.7270/Q2QJ7GV9
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50092572
PNG
((2S,5S,11bR,1'R)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C32H30N4O6/c37-29(34-25(31(39)40)15-19-9-3-1-4-10-19)27-16-22-21-13-7-8-14-23(21)33-28(22)26-17-24(30(38)36(26)27)35-32(41)42-18-20-11-5-2-6-12-20/h1-14,24-27,33H,15-18H2,(H,34,37)(H,35,41)(H,39,40)/t24-,25+,26+,27-/m0/s1
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n/an/a 55n/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)


Article DOI: 10.1021/jm000959x
BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50082647
PNG
(CHEMBL142349 | [1-((4aR,5R)-2-Benzyl-1,3-dioxo-oct...)
Show SMILES CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C29H36N4O5/c1-29(2,3)38-27(36)31-23(17-20-11-6-4-7-12-20)26(35)30-22-15-10-16-32-24(22)18-25(34)33(28(32)37)19-21-13-8-5-9-14-21/h4-9,11-14,22-24H,10,15-19H2,1-3H3,(H,30,35)(H,31,36)/t22-,23?,24-/m1/s1
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n/an/a 66n/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)


Article DOI: 10.1021/jm991078x
BindingDB Entry DOI: 10.7270/Q24T6K2B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50073725
PNG
((2S,5S,11bR,1'S)-3-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C33H32N4O6/c38-29(39)16-22(15-20-9-3-1-4-10-20)34-31(40)28-17-24-23-13-7-8-14-25(23)35-30(24)27-18-26(32(41)37(27)28)36-33(42)43-19-21-11-5-2-6-12-21/h1-14,22,26-28,35H,15-19H2,(H,34,40)(H,36,42)(H,38,39)/t22-,26-,27+,28-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 binding to rat pancreas cholecystokinin-A (CCK-A) receptor


Bioorg Med Chem Lett 9: 43-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00677-5
BindingDB Entry DOI: 10.7270/Q2XP743J
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50073725
PNG
((2S,5S,11bR,1'S)-3-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C33H32N4O6/c38-29(39)16-22(15-20-9-3-1-4-10-20)34-31(40)28-17-24-23-13-7-8-14-25(23)35-30(24)27-18-26(32(41)37(27)28)36-33(42)43-19-21-11-5-2-6-12-21/h1-14,22,26-28,35H,15-19H2,(H,34,40)(H,36,42)(H,38,39)/t22-,26-,27+,28-/m0/s1
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n/an/a 88n/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)


Article DOI: 10.1021/jm000959x
BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50092568
PNG
((2R,5R,11bS,1'S)-3-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C33H32N4O6/c38-29(39)16-22(15-20-9-3-1-4-10-20)34-31(40)28-17-24-23-13-7-8-14-25(23)35-30(24)27-18-26(32(41)37(27)28)36-33(42)43-19-21-11-5-2-6-12-21/h1-14,22,26-28,35H,15-19H2,(H,34,40)(H,36,42)(H,38,39)/t22-,26+,27-,28+/m0/s1
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n/an/a 98n/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)


Article DOI: 10.1021/jm000959x
BindingDB Entry DOI: 10.7270/Q21J9BG8
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50154430
PNG
((S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl...)
Show SMILES C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C38H47N5O4/c1-22-34-32(9-6-14-42(34)38(46)43(36(22)44)29-12-10-28(11-13-29)41(2)3)40-33(20-27-21-39-31-8-5-4-7-30(27)31)37(45)47-35-25-16-23-15-24(18-25)19-26(35)17-23/h4-5,7-8,10-13,21-26,32-35,39-40H,6,9,14-20H2,1-3H3/t22-,23?,24?,25?,26?,32-,33+,34?,35?/m1/s1
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n/an/a 121n/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 B receptor of rat cerebral cortex 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


(RAT)
BDBM50073728
PNG
((R)-3-[((2S,5S,11bR)-2-Benzyloxycarbonylamino-3-ox...)
Show SMILES C[Si](C)(C)CCOC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C38H44N4O6Si/c1-49(2,3)19-18-47-34(43)21-27(20-25-12-6-4-7-13-25)39-36(44)33-22-29-28-16-10-11-17-30(28)40-35(29)32-23-31(37(45)42(32)33)41-38(46)48-24-26-14-8-5-9-15-26/h4-17,27,31-33,40H,18-24H2,1-3H3,(H,39,44)(H,41,46)/t27-,31+,32-,33+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of [3H]-propionyl-CCK-8 binding to rat pancreas cholecystokinin-A (CCK-A) receptor


Bioorg Med Chem Lett 9: 43-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00677-5
BindingDB Entry DOI: 10.7270/Q2XP743J
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50154426
PNG
((S)-2-((4R,5R)-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)OC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C37H44N4O4/c1-22-33-31(12-7-13-40(33)37(44)41(35(22)42)21-23-8-3-2-4-9-23)39-32(19-28-20-38-30-11-6-5-10-29(28)30)36(43)45-34-26-15-24-14-25(17-26)18-27(34)16-24/h2-6,8-11,20,22,24-27,31-34,38-39H,7,12-19,21H2,1H3/t22-,24?,25?,26?,27?,31-,32+,33?,34?/m1/s1
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n/an/a 181n/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 B receptor of rat cerebral cortex 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
CCKBR


(RAT)
BDBM50092567
PNG
((2R,5R,11bS,1'S)-2-[(2-Benzyloxycarbonylamino-3-ox...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C32H30N4O6/c37-29(34-25(31(39)40)15-19-9-3-1-4-10-19)27-16-22-21-13-7-8-14-23(21)33-28(22)26-17-24(30(38)36(26)27)35-32(41)42-18-20-11-5-2-6-12-20/h1-14,24-27,33H,15-18H2,(H,34,37)(H,35,41)(H,39,40)/t24-,25+,26+,27-/m1/s1
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n/an/a 202n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]propionylCCK8 from rat cerebral cortex CCK2


J Med Chem 48: 7667-74 (2005)


Article DOI: 10.1021/jm050689o
BindingDB Entry DOI: 10.7270/Q2QJ7GV9
More data for this
Ligand-Target Pair
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