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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50092406'   
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


(Homo sapiens (Human))
BDBM50092406
PNG
(3-tert-Butoxycarbonylamino-N-[1-({1-[1-(1-carbamoy...)
Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=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/C40H53N7O11/c1-6-7-17-31(37(55)44-28(20-32(48)49)35(53)43-27(34(41)52)18-23-13-9-8-10-14-23)47(5)38(56)30(19-24-22-42-26-16-12-11-15-25(24)26)45-36(54)29(21-33(50)51)46-39(57)58-40(2,3)4/h8-16,22,27-31,42H,6-7,17-21H2,1-5H3,(H2,41,52)(H,43,53)(H,44,55)(H,45,54)(H,46,57)(H,48,49)(H,50,51)/t27-,28-,29-,30-,31-/m0/s1
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PC cid
PC sid
UniChem
PubMed
7.76n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity against cholecystokinin type B receptor on guinea pig cortex.


J Med Chem 43: 3614-23 (2000)


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