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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor type A' and Ligand = 'BDBM85139'   
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))
BDBM85139
PNG
(CCK-A Agonist 37)
Show SMILES CC(C)N(C(=O)CN1c2ccccc2N(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccccc1
Show InChI InChI=1S/C34H31N5O3/c1-23(2)38(24-13-5-3-6-14-24)32(40)22-37-30-19-11-12-20-31(30)39(25-15-7-4-8-16-25)34(42)27(33(37)41)21-29-26-17-9-10-18-28(26)35-36-29/h3-20,23,27H,21-22H2,1-2H3,(H,35,36)
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Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against human Cholecystokinin type A receptor by displacement of [125I]CCK-8


J Med Chem 39: 2655-8 (1996)


Article DOI: 10.1021/jm960249k
BindingDB Entry DOI: 10.7270/Q2JQ126Q
More data for this
Ligand-Target Pair