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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin A receptor' and Ligand = 'BDBM50044042'   
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 A receptor


(Cavia porcellus)
BDBM50044042
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[2...)
Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)(C)C
Show InChI InChI=1S/C45H58N8O8/c1-28-15-9-11-19-32(28)52-44(61)47-22-14-13-21-34(41(58)51-36(25-39(55)56)43(60)53(5)37(40(46)57)23-29-16-7-6-8-17-29)50-42(59)35(49-38(54)26-45(2,3)4)24-30-27-48-33-20-12-10-18-31(30)33/h6-12,15-20,27,34-37,48H,13-14,21-26H2,1-5H3,(H2,46,57)(H,49,54)(H,50,59)(H,51,58)(H,55,56)(H2,47,52,61)/t34-,35-,36-,37-/m0/s1
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Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreas


J Med Chem 37: 309-13 (1994)


Article DOI: 10.1021/jm00028a015
BindingDB Entry DOI: 10.7270/Q2445N4S
More data for this
Ligand-Target Pair