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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM50013185'   
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)
BDBM50013185
PNG
(2-Benzo[b]thiophen-4-yl-N-[5-(2-fluoro-phenyl)-1-m...)
Show SMILES CN1C(CNC(=O)Cc2cccc3sccc23)CN=C(c2ccccc2F)c2ccccc12 |t:20|
Show InChI InChI=1S/C27H24FN3OS/c1-31-19(16-29-26(32)15-18-7-6-12-25-20(18)13-14-33-25)17-30-27(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)31/h2-14,19H,15-17H2,1H3,(H,29,32)
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PC cid
PC sid
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PubMed
n/an/a 450n/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