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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 = 'BDBM50008007'   
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


(Cavia porcellus)
BDBM50008007
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H51ClN8O9/c1-42(2,3)60-41(59)51-33(21-26-24-46-30-17-8-7-16-29(26)30)38(56)48-31(18-9-10-19-45-40(58)47-28-15-11-14-27(43)22-28)37(55)50-34(23-35(52)53)39(57)49-32(36(44)54)20-25-12-5-4-6-13-25/h4-8,11-17,22,24,31-34,46H,9-10,18-21,23H2,1-3H3,(H2,44,54)(H,48,56)(H,49,57)(H,50,55)(H,51,59)(H,52,53)(H2,45,47,58)/t31-,32?,33?,34?/m0/s1
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Similars

PubMed
n/an/a 51n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand


J Med Chem 34: 2837-42 (1991)


BindingDB Entry DOI: 10.7270/Q2JD4VRF
More data for this
Ligand-Target Pair