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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.4
BDBM82386

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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


(RAT)
BDBM82386
PNG
(CCK antagonist synthetic 15)
Show SMILES Cc1ccc2c(c[nH]c2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16|
Show InChI InChI=1S/C25H19FN4O2/c1-14-10-11-15-18(13-27-21(15)12-14)24(31)30-23-25(32)28-20-9-5-3-7-17(20)22(29-23)16-6-2-4-8-19(16)26/h2-13,23,27H,1H3,(H,28,32)(H,30,31)
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KEGG

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 4918-22 (1986)


Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05
More data for this
Ligand-Target Pair