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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50245188'   
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))
BDBM50245188
PNG
(3-((S)-3-((carboxymethoxy)methyl)-4-(1-(3-ethoxyph...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1COCC(O)=O)c1cc(C(O)=O)c2ccccc2c1 |r|
Show InChI InChI=1S/C37H35FN4O7/c1-3-49-28-9-6-8-25(17-28)42-20-33(39-35(42)30-12-11-23(2)15-32(30)38)36(45)41-14-13-40(19-27(41)21-48-22-34(43)44)26-16-24-7-4-5-10-29(24)31(18-26)37(46)47/h4-12,15-18,20,27H,3,13-14,19,21-22H2,1-2H3,(H,43,44)(H,46,47)/t27-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0410n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of human CCK1 receptor


Bioorg Med Chem Lett 18: 4833-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50245188
PNG
(3-((S)-3-((carboxymethoxy)methyl)-4-(1-(3-ethoxyph...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(C[C@H]1COCC(O)=O)c1cc(C(O)=O)c2ccccc2c1 |r|
Show InChI InChI=1S/C37H35FN4O7/c1-3-49-28-9-6-8-25(17-28)42-20-33(39-35(42)30-12-11-23(2)15-32(30)38)36(45)41-14-13-40(19-27(41)21-48-22-34(43)44)26-16-24-7-4-5-10-29(24)31(18-26)37(46)47/h4-12,15-18,20,27H,3,13-14,19,21-22H2,1-2H3,(H,43,44)(H,46,47)/t27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0340n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at human CCK1 receptor


Bioorg Med Chem Lett 18: 4833-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.083
BindingDB Entry DOI: 10.7270/Q2RJ4J94
More data for this
Ligand-Target Pair