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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50421964'   
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))
BDBM50421964
PNG
(CHEMBL2310858)
Show SMILES CCCC1CCN([C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(N)=O)[C@H]1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(OS(O)(=O)=O)cc1
Show InChI InChI=1S/C51H64N8O13S/c1-4-11-34-23-25-58(31(2)49(66)56-40(28-45(62)63)51(68)57(3)42(48(52)65)26-33-12-6-5-7-13-33)46(34)47(64)39(27-35-29-53-38-15-9-8-14-37(35)38)55-43(60)30-54-50(67)41-16-10-24-59(41)44(61)22-19-32-17-20-36(21-18-32)72-73(69,70)71/h5-9,12-15,17-18,20-21,29,31,34,39-42,46,53H,4,10-11,16,19,22-28,30H2,1-3H3,(H2,52,65)(H,54,67)(H,55,60)(H,56,66)(H,62,63)(H,69,70,71)/t31-,34?,39-,40-,41-,42-,46+/m0/s1
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Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex


J Med Chem 35: 2919-28 (1992)


Article DOI: 10.1021/jm00094a001
BindingDB Entry DOI: 10.7270/Q2W66JRH
More data for this
Ligand-Target Pair