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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50263102'   
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))
BDBM50263102
PNG
((1-(3-ethoxyphenyl)-2-(2-fluorophenyl)-1H-imidazol...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccccc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H29FN4O2/c1-2-39-27-11-7-10-26(21-27)37-22-30(34-31(37)28-12-5-6-13-29(28)33)32(38)36-18-16-35(17-19-36)25-15-14-23-8-3-4-9-24(23)20-25/h3-15,20-22H,2,16-19H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/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))
BDBM50263102
PNG
((1-(3-ethoxyphenyl)-2-(2-fluorophenyl)-1H-imidazol...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccccc1F)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C32H29FN4O2/c1-2-39-27-11-7-10-26(21-27)37-22-30(34-31(37)28-12-5-6-13-29(28)33)32(38)36-18-16-35(17-19-36)25-15-14-23-8-3-4-9-24(23)20-25/h3-15,20-22H,2,16-19H2,1H3
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.30n/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