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29 similar compounds to monomer 50060318

Compile data set for download or QSAR
Wt: 559.6
BDBM50060326
Wt: 559.6
BDBM50060327
Wt: 559.6
BDBM50060319
Wt: 559.6
BDBM50060320
Wt: 559.6
BDBM50060322
Wt: 559.6
BDBM50060323
Wt: 559.6
BDBM50060324
Wt: 459.5
BDBM50082637
Wt: 545.6
BDBM50082638
Wt: 559.6
BDBM50082644
Wt: 604.6
BDBM50082645
Wt: 459.5
BDBM50082654
Wt: 621.7
BDBM50082655
Wt: 604.6
BDBM50082656
Wt: 631.7
BDBM50100703
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50060326,50060327,50060319,50060320,50060322,50060323,50060324,50082637,50082638,50082644,50082645,50082654,50082655,50082656,50100703   
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


(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
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
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
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
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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>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 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)
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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>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)
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)
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
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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>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)
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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>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)
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+4n/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)
BDBM50082656
PNG
(CHEMBL342912 | [(1S,2R)-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+4n/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)
BDBM50082656
PNG
(CHEMBL342912 | [(1S,2R)-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
CCKBR


(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 6.15E+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 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)
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+4n/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)
BDBM50100703
PNG
(2-{5-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES COC(=O)C(Cc1ccccc1)N1C(=O)CC2C(CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H41N5O7/c1-34(2,3)46-32(43)37-26(18-22-20-35-24-14-9-8-13-23(22)24)30(41)36-25-15-10-16-38-27(25)19-29(40)39(33(38)44)28(31(42)45-4)17-21-11-6-5-7-12-21/h5-9,11-14,20,25-28,35H,10,15-19H2,1-4H3,(H,36,41)(H,37,43)/t25?,26-,27?,28?/m0/s1
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n/an/a>1.00E+4n/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)
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 4.39E+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 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)
BDBM50082654
PNG
((S)-2-Amino-N-((4aS,5S)-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+4n/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)
BDBM50082654
PNG
((S)-2-Amino-N-((4aS,5S)-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)
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
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
CCKBR


(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+4n/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)
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)
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)
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
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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n/an/a>1.00E+4n/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 2 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


(RAT)
BDBM50100703
PNG
(2-{5-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES COC(=O)C(Cc1ccccc1)N1C(=O)CC2C(CCCN2C1=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C34H41N5O7/c1-34(2,3)46-32(43)37-26(18-22-20-35-24-14-9-8-13-23(22)24)30(41)36-25-15-10-16-38-27(25)19-29(40)39(33(38)44)28(31(42)45-4)17-21-11-6-5-7-12-21/h5-9,11-14,20,25-28,35H,10,15-19H2,1-4H3,(H,36,41)(H,37,43)/t25?,26-,27?,28?/m0/s1
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n/an/a>1.00E+3n/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)
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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n/an/a 1.59n/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


(Homo sapiens (Human))
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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n/an/a 2.09E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK-Induced inositol phosphate production in Cos-7 cells expressing human CCK1R


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


(Homo sapiens (Human))
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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n/an/a 6.85E+3n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK binding to Cos-7 cells expressing human 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


(Homo sapiens (Human))
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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n/an/a 6.03E+3n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of CCK binding to Cos-7 cells expressing human cholecystokinin 2 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