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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 = 'BDBM50144560'   
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


(Mus musculus)
BDBM50144560
PNG
(CHEMBL3759069)
Show SMILES NC(=O)c1cc2CCc3ccccc3-c2s1
Show InChI InChI=1S/C13H11NOS/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H2,14,15)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/an/an/a 13n/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
Palmitoleoyl-protein carboxylesterase NOTUM


(Homo sapiens (Human))
BDBM50144560
PNG
(CHEMBL3759069)
Show SMILES NC(=O)c1cc2CCc3ccccc3-c2s1
Show InChI InChI=1S/C13H11NOS/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H2,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 9n/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