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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50262817'   
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


(Homo sapiens (Human))
BDBM50262817
PNG
((1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)(4...)
Show SMILES COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H29N5O2/c1-22-10-12-23(13-11-22)30-33-29(21-36(30)25-7-5-8-27(19-25)38-2)31(37)35-16-14-34(15-17-35)26-18-24-6-3-4-9-28(24)32-20-26/h3-13,18-21H,14-17H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CCK1 receptor


Bioorg Med Chem Lett 18: 4393-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50262817
PNG
((1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)(4...)
Show SMILES COc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C31H29N5O2/c1-22-10-12-23(13-11-22)30-33-29(21-36(30)25-7-5-8-27(19-25)38-2)31(37)35-16-14-34(15-17-35)26-18-24-6-3-4-9-28(24)32-20-26/h3-13,18-21H,14-17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human CCK1 receptor


Bioorg Med Chem Lett 18: 4393-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.057
BindingDB Entry DOI: 10.7270/Q2HH6JW0
More data for this
Ligand-Target Pair