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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50092567'   
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)
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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PC cid
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Article
PubMed
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 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)
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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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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