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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50006877'   
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)
BDBM50006877
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CCOP(O)(=O)CC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C35H45N4O7P/c1-3-45-47(43,44)21-31(40)38-30(24-9-5-4-6-10-24)20-37-33(41)35(2,18-27-19-36-29-12-8-7-11-28(27)29)39-34(42)46-32-25-14-22-13-23(16-25)17-26(32)15-22/h4-12,19,22-23,25-26,30,32,36H,3,13-18,20-21H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)/t22?,23?,25?,26?,30-,32?,35?/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type 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)
BDBM50006877
PNG
(({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indo...)
Show SMILES CCOP(O)(=O)CC(=O)N[C@H](CNC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)c1ccccc1
Show InChI InChI=1S/C35H45N4O7P/c1-3-45-47(43,44)21-31(40)38-30(24-9-5-4-6-10-24)20-37-33(41)35(2,18-27-19-36-29-12-8-7-11-28(27)29)39-34(42)46-32-25-14-22-13-23(16-25)17-26(32)15-22/h4-12,19,22-23,25-26,30,32,36H,3,13-18,20-21H2,1-2H3,(H,37,41)(H,38,40)(H,39,42)(H,43,44)/t22?,23?,25?,26?,30-,32?,35?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Evaluated for inhibition of cholecystokinin type 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