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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 = 'BDBM50415051'   
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


(Homo sapiens (Human))
BDBM50415051
PNG
(CHEMBL584063)
Show SMILES C[C@@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 |r|
Show InChI InChI=1S/C22H19BrN4O3S2/c1-14(15-6-3-2-4-7-15)13-24-22(28)17-11-10-16(23)12-19(17)27-32(29,30)20-9-5-8-18-21(20)26-31-25-18/h2-12,14,27H,13H2,1H3,(H,24,28)/t14-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
79.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from CCK1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6373-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.064
BindingDB Entry DOI: 10.7270/Q2222W1W
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(Homo sapiens (Human))
BDBM50415051
PNG
(CHEMBL584063)
Show SMILES C[C@@H](CNC(=O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 |r|
Show InChI InChI=1S/C22H19BrN4O3S2/c1-14(15-6-3-2-4-7-15)13-24-22(28)17-11-10-16(23)12-19(17)27-32(29,30)20-9-5-8-18-21(20)26-31-25-18/h2-12,14,27H,13H2,1H3,(H,24,28)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
79.4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCK-8S from CCK1R after 100 mins by liquid scintillation counting


Bioorg Med Chem Lett 19: 6373-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.064
BindingDB Entry DOI: 10.7270/Q2222W1W
More data for this
Ligand-Target Pair