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Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'bartolomé-nebreda' and Initial = 'jm'   
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)
BDBM50060321
PNG
(1H-Indole-2-carboxylic acid ((R)-1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
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-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
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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0.520n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060322
PNG
(CHEMBL332261 | [(S)-1-((4aS,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](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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0.620n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
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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2.80n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060323
PNG
(CHEMBL431858 | [(S)-1-((4aR,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](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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10.6n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060326
PNG
(CHEMBL116001 | [(R)-1-((4aS,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](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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298n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060321
PNG
(1H-Indole-2-carboxylic acid ((R)-1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
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-/m0/s1
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342n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060327
PNG
(CHEMBL116127 | [(S)-1-((4aR,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](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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572n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060320
PNG
(CHEMBL326064 | [(R)-1-((4aR,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](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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813n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060325
PNG
((2S,8S,8aR)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33-/m0/s1
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1.03E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060328
PNG
((2R,8S,8aR)-2-Benzyl-8-[(R)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26+,27+,33+/m0/s1
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1.56E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060318
PNG
(CHEMBL324294 | [(R)-1-((4aS,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](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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1.89E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060323
PNG
(CHEMBL431858 | [(S)-1-((4aR,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](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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2.73E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060319
PNG
(CHEMBL113718 | [(S)-1-((4aS,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](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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2.89E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060319
PNG
(CHEMBL113718 | [(S)-1-((4aS,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](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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2.91E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060325
PNG
((2S,8S,8aR)-2-Benzyl-8-[(S)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26-,27+,33-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060324
PNG
(CHEMBL114517 | [(R)-1-((4aR,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](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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Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060324
PNG
(CHEMBL114517 | [(R)-1-((4aR,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](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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Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060318
PNG
(CHEMBL324294 | [(R)-1-((4aS,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](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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Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060322
PNG
(CHEMBL332261 | [(S)-1-((4aS,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](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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Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060326
PNG
(CHEMBL116001 | [(R)-1-((4aS,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](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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Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060320
PNG
(CHEMBL326064 | [(R)-1-((4aR,5R)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@H](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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Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
CCKBR


(RAT)
BDBM50060327
PNG
(CHEMBL116127 | [(S)-1-((4aR,5S)-2-Benzyl-1,3-dioxo...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](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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Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50060328
PNG
((2R,8S,8aR)-2-Benzyl-8-[(R)-2-tert-butoxycarbonyla...)
Show SMILES COC(=O)[C@]1(Cc2ccccc2)C[C@@H]2[C@H](CCCN2C1=O)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40N4O6/c1-32(2,3)43-31(41)36-26(17-22-20-34-24-14-9-8-13-23(22)24)28(38)35-25-15-10-16-37-27(25)19-33(29(37)39,30(40)42-4)18-21-11-6-5-7-12-21/h5-9,11-14,20,25-27,34H,10,15-19H2,1-4H3,(H,35,38)(H,36,41)/t25-,26+,27+,33+/m0/s1
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Instituto de Química Médica (CSIC)

Curated by ChEMBL


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


J Med Chem 40: 3402-7 (1997)


Article DOI: 10.1021/jm9703247
BindingDB Entry DOI: 10.7270/Q2B56HV4
More data for this
Ligand-Target Pair
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)
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


(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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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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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)
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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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)
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
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 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)
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
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)
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
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)
BDBM50082642
PNG
(3-((4aR,5R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,...)
Show SMILES CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C32H37N5O5/c1-32(2,3)42-31(41)36-19-25-22(21-12-7-8-13-23(21)33-25)16-27(36)29(39)34-24-14-9-15-35-26(24)17-28(38)37(30(35)40)18-20-10-5-4-6-11-20/h4-8,10-13,24,26-27,33H,9,14-19H2,1-3H3,(H,34,39)/t24-,26-,27?/m1/s1
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n/an/a 226n/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)
BDBM50106599
PNG
(CHEMBL337639 | [1-(2-Benzyl-3-methoxy-1-oxo-octahy...)
Show SMILES COC1C[C@H]2[C@@H](CCCN2C(=O)N1Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H41N5O5/c1-32(2,3)42-30(39)35-26(17-22-19-33-24-14-9-8-13-23(22)24)29(38)34-25-15-10-16-36-27(25)18-28(41-4)37(31(36)40)20-21-11-6-5-7-12-21/h5-9,11-14,19,25-28,33H,10,15-18,20H2,1-4H3,(H,34,38)(H,35,39)/t25-,26?,27+,28?/m1/s1
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n/an/a 370n/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)
BDBM50082655
PNG
(Adamantane-1-carboxylic acid [(S)-1-((4aS,5S)-2-be...)
Show SMILES O=C(N[C@H]1CCCN2[C@H]1CC(=O)N(Cc1ccccc1)C2=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C37H43N5O4/c43-33-17-32-30(11-6-12-41(32)36(46)42(33)22-23-7-2-1-3-8-23)39-34(44)31(16-27-21-38-29-10-5-4-9-28(27)29)40-35(45)37-18-24-13-25(19-37)15-26(14-24)20-37/h1-5,7-10,21,24-26,30-32,38H,6,11-20,22H2,(H,39,44)(H,40,45)/t24?,25?,26?,30-,31-,32-,37?/m0/s1
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n/an/a 486n/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)
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 696n/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
Cholecystokinin receptor


(RAT)
BDBM50106598
PNG
(CHEMBL335274 | [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+/m0/s1
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n/an/a 825n/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)
BDBM50106594
PNG
(CHEMBL334358 | [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+/m0/s1
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n/an/a 900n/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)
BDBM50082637
PNG
((S)-2-Amino-N-((4aR,5R)-2-benzyl-1,3-dioxo-octahyd...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1S/C26H29N5O3/c27-20(13-18-15-28-21-10-5-4-9-19(18)21)25(33)29-22-11-6-12-30-23(22)14-24(32)31(26(30)34)16-17-7-2-1-3-8-17/h1-5,7-10,15,20,22-23,28H,6,11-14,16,27H2,(H,29,33)/t20-,22+,23+/m0/s1
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n/an/a>1.00E+3n/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)
BDBM50082638
PNG
(CHEMBL343560 | [(S)-1-[((4aR,5R)-2-Benzyl-1,3-diox...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CN[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C31H39N5O4/c1-31(2,3)40-29(38)34-23(16-22-18-32-25-13-8-7-12-24(22)25)19-33-26-14-9-15-35-27(26)17-28(37)36(30(35)39)20-21-10-5-4-6-11-21/h4-8,10-13,18,23,26-27,32-33H,9,14-17,19-20H2,1-3H3,(H,34,38)/t23-,26+,27+/m0/s1
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n/an/a>1.00E+3n/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)
BDBM50082645
PNG
(CHEMBL140098 | [(1S,2S)-2-((4aR,5R)-2-Benzyl-1,3-d...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)[C@H](N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O)C#N)OCc1ccccc1
Show InChI InChI=1S/C35H36N6O4/c36-20-31(38-29-16-9-17-40-32(29)19-33(42)41(35(40)44)22-24-10-3-1-4-11-24)30(18-26-21-37-28-15-8-7-14-27(26)28)39-34(43)45-23-25-12-5-2-6-13-25/h1-8,10-15,21,29-32,37-38H,9,16-19,22-23H2,(H,39,43)/t29-,30+,31-,32-/m1/s1
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n/an/a>1.00E+3n/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)
BDBM50369471
PNG
(CHEMBL1794878)
Show SMILES O=C(N[C@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H24N4O3/c29-22-14-21-19(26-23(30)20-13-17-9-4-5-10-18(17)25-20)11-6-12-27(21)24(31)28(22)15-16-7-2-1-3-8-16/h1-5,7-10,13,19,21,25H,6,11-12,14-15H2,(H,26,30)/t19-,21+/m0/s1
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n/an/a>1.00E+3n/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
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