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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 = 'BDBM50245196'   
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))
BDBM50245196
PNG
(CHEMBL450443 | N-(((S)-1-(1-(3-ethoxyphenyl)-2-p-t...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(C)=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C35H36N6O3/c1-4-44-31-10-7-9-28(19-31)41-23-33(38-34(41)26-14-12-24(2)13-15-26)35(43)40-17-16-39(22-30(40)21-36-25(3)42)29-18-27-8-5-6-11-32(27)37-20-29/h5-15,18-20,23,30H,4,16-17,21-22H2,1-3H3,(H,36,42)/t30-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.25n/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 type A


(Homo sapiens (Human))
BDBM50245196
PNG
(CHEMBL450443 | N-(((S)-1-(1-(3-ethoxyphenyl)-2-p-t...)
Show SMILES CCOc1cccc(c1)-n1cc(nc1-c1ccc(C)cc1)C(=O)N1CCN(C[C@@H]1CNC(C)=O)c1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C35H36N6O3/c1-4-44-31-10-7-9-28(19-31)41-23-33(38-34(41)26-14-12-24(2)13-15-26)35(43)40-17-16-39(22-30(40)21-36-25(3)42)29-18-27-8-5-6-11-32(27)37-20-29/h5-15,18-20,23,30H,4,16-17,21-22H2,1-3H3,(H,36,42)/t30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.100n/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