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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 = 'BDBM50002502'   
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)
BDBM50002502
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES COc1ccc(\C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(OC)c1
Show InChI InChI=1S/C46H57N7O11/c1-46(2,3)64-45(61)53-36(24-30-27-49-33-16-10-9-15-32(30)33)43(59)50-34(17-11-12-22-48-39(54)21-19-29-18-20-31(62-4)25-38(29)63-5)42(58)52-37(26-40(55)56)44(60)51-35(41(47)57)23-28-13-7-6-8-14-28/h6-10,13-16,18-21,25,27,34-37,49H,11-12,17,22-24,26H2,1-5H3,(H2,47,57)(H,48,54)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,55,56)/t34-,35?,36?,37?/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.


J Med Chem 35: 2007-14 (1992)


Article DOI: 10.1021/jm00089a010
BindingDB Entry DOI: 10.7270/Q21J9BDC
More data for this
Ligand-Target Pair