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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholecystokinin receptor' and Ligand = 'BDBM50002498'   
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))
BDBM50002498
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2cccc(O)c2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C45H52N8O10/c1-45(2,3)63-44(62)53-35(22-27-24-48-31-15-8-7-14-29(27)31)42(60)50-33(16-9-10-19-47-40(58)28-21-30-32(49-25-28)17-11-18-37(30)54)41(59)52-36(23-38(55)56)43(61)51-34(39(46)57)20-26-12-5-4-6-13-26/h4-8,11-15,17-18,21,24-25,33-36,48,54H,9-10,16,19-20,22-23H2,1-3H3,(H2,46,57)(H,47,58)(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,55,56)/t33-,34-,35-,36-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 670n/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 cortex


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