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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 = 'BDBM50092388'   
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)
BDBM50092388
PNG
(3-(2-{[2-(3-tert-Butoxycarbonylamino-propionylamin...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H53N7O9/c1-6-7-17-31(36(52)45-29(22-33(48)49)35(51)44-28(34(40)50)20-24-13-9-8-10-14-24)46(5)37(53)30(21-25-23-42-27-16-12-11-15-26(25)27)43-32(47)18-19-41-38(54)55-39(2,3)4/h8-16,23,28-31,42H,6-7,17-22H2,1-5H3,(H2,40,50)(H,41,54)(H,43,47)(H,44,51)(H,45,52)(H,48,49)/t28-,29-,30-,31-/m0/s1
MMDB

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PC cid
PC sid
UniChem
PubMed
1.35n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.


J Med Chem 43: 3614-23 (2000)


BindingDB Entry DOI: 10.7270/Q2RN373C
More data for this
Ligand-Target Pair