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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50455598'   
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


(MOUSE)
BDBM50455598
PNG
(CHEMBL2112335)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCn1nn[nH]c1=S)c1ccccc1
Show InChI InChI=1S/C35H42N8O4S/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(46)47-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)37-20-29(23-7-3-2-4-8-23)38-30(44)11-12-43-33(48)40-41-42-43/h2-10,19,21-22,24-25,29,31,36H,11-18,20H2,1H3,(H,37,45)(H,38,44)(H,39,46)(H,40,42,48)/t21?,22?,24?,25?,29-,31?,35+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50455598
PNG
(CHEMBL2112335)
Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCn1nn[nH]c1=S)c1ccccc1
Show InChI InChI=1S/C35H42N8O4S/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(46)47-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)37-20-29(23-7-3-2-4-8-23)38-30(44)11-12-43-33(48)40-41-42-43/h2-10,19,21-22,24-25,29,31,36H,11-18,20H2,1H3,(H,37,45)(H,38,44)(H,39,46)(H,40,42,48)/t21?,22?,24?,25?,29-,31?,35+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


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


J Med Chem 35: 2573-81 (1992)


Article DOI: 10.1021/jm00092a007
BindingDB Entry DOI: 10.7270/Q2TT4RJ4
More data for this
Ligand-Target Pair