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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50013186'   
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 type A


(RAT)
BDBM50013186
PNG
((Diastereomer)-N-[5-(2-Fluoro-phenyl)-2,3-dihydro-...)
Show SMILES OC(C(=O)NCC1CNc2ccccc2C(=N1)c1ccccc1F)c1ccccc1 |c:16|
Show InChI InChI=1S/C24H22FN3O2/c25-20-12-6-4-10-18(20)22-19-11-5-7-13-21(19)26-14-17(28-22)15-27-24(30)23(29)16-8-2-1-3-9-16/h1-13,17,23,26,29H,14-15H2,(H,27,30)
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas


J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50013186
PNG
((Diastereomer)-N-[5-(2-Fluoro-phenyl)-2,3-dihydro-...)
Show SMILES OC(C(=O)NCC1CNc2ccccc2C(=N1)c1ccccc1F)c1ccccc1 |c:16|
Show InChI InChI=1S/C24H22FN3O2/c25-20-12-6-4-10-18(20)22-19-11-5-7-13-21(19)26-14-17(28-22)15-27-24(30)23(29)16-8-2-1-3-9-16/h1-13,17,23,26,29H,14-15H2,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat pancreas


J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair