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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 = 'BDBM50044039'   
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)
BDBM50044039
PNG
((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-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)C(C)(C)C
Show InChI InChI=1S/C44H56N8O8/c1-27-15-9-11-19-31(27)51-43(60)46-22-14-13-21-33(48-40(57)34(50-42(59)44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32)39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,50,59)(H,53,54)(H2,46,51,60)/t33-,34-,35-,36-/m0/s1
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Similars

Article
PubMed
n/an/a 1.10n/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