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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastrin/cholecystokinin type B receptor' and Ligand = 'BDBM50043507'   
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
Gastrin/cholecystokinin type B receptor


(Homo sapiens (Human))
BDBM50043507
PNG
(1-Indan-5-yl-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydr...)
Show SMILES CN1c2ccccc2C(=NC(NC(=O)Nc2ccc3CCCc3c2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C26H24N4O2/c1-30-22-13-6-5-12-21(22)23(18-8-3-2-4-9-18)28-24(25(30)31)29-26(32)27-20-15-14-17-10-7-11-19(17)16-20/h2-6,8-9,12-16,24H,7,10-11H2,1H3,(H2,27,29,32)
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PubMed
n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor


J Med Chem 36: 4276-92 (1994)


BindingDB Entry DOI: 10.7270/Q22J6CH9
More data for this
Ligand-Target Pair