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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Palmitoleoyl-protein carboxylesterase NOTUM' and Ligand = 'BDBM50144533'   
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
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM50144533
PNG
(CHEMBL3759406)
Show SMILES OC(=O)c1cc2COc3c(cc(F)cc3-c2s1)C#N
Show InChI InChI=1S/C13H6FNO3S/c14-8-1-6(4-15)11-9(3-8)12-7(5-18-11)2-10(19-12)13(16)17/h1-3H,5H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human notum pectinacetylesterase expressed in 293F cells by TCF/LEF CellSensor assay


Bioorg Med Chem Lett 26: 1184-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.038
BindingDB Entry DOI: 10.7270/Q2QV3PBN
More data for this
Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM


(Mus musculus)
BDBM50144533
PNG
(CHEMBL3759406)
Show SMILES OC(=O)c1cc2COc3c(cc(F)cc3-c2s1)C#N
Show InChI InChI=1S/C13H6FNO3S/c14-8-1-6(4-15)11-9(3-8)12-7(5-18-11)2-10(19-12)13(16)17/h1-3H,5H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of mouse notum pectinacetylesterase expressed in 293F cells by TCF/LEF CellSensor assay


Bioorg Med Chem Lett 26: 1184-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.038
BindingDB Entry DOI: 10.7270/Q2QV3PBN
More data for this
Ligand-Target Pair