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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 418.5
BDBM50428026

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
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428026
PNG
(CHEMBL1444402)
Show SMILES CCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2CC(C)Sc2c1=O
Show InChI InChI=1S/C18H18N4O2S3/c1-3-22-16(24)15-12(8-10(2)26-15)20-18(22)25-9-14(23)21-17-19-11-6-4-5-7-13(11)27-17/h4-7,10H,3,8-9H2,1-2H3,(H,19,21,23)
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PC sid
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Similars

Article
PubMed
n/an/an/an/a 4.00E+3n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair