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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50092395'   
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))
BDBM50092395
PNG
(3-{2-[2-{[9-tert-Butoxycarbonylamino-3-butyl-2,5,8...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccc(OS(O)(=O)=O)cc2)C(=O)N[C@@H](CCCC)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C60H81N11O17S/c1-6-8-20-41-52(76)64-43(23-15-16-28-62-49(72)32-47(71-59(83)87-60(3,4)5)57(81)68-45(55(79)65-41)30-36-24-26-38(27-25-36)88-89(84,85)86)54(78)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(80)66-42(21-9-7-2)53(77)70-48(33-50(73)74)58(82)67-44(51(61)75)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33H2,1-5H3,(H2,61,75)(H,62,72)(H,64,76)(H,65,79)(H,66,80)(H,67,82)(H,68,81)(H,69,78)(H,70,77)(H,71,83)(H,73,74)(H,84,85,86)/t41-,42-,43+,44-,45+,46-,47-,48-/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
6.40n/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