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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 = 'BDBM50144562'   
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)
BDBM50144562
PNG
(CHEMBL3759323)
Show SMILES CC1Cc2ccccc2-c2sc(cc12)C(N)=O
Show InChI InChI=1S/C14H13NOS/c1-8-6-9-4-2-3-5-10(9)13-11(8)7-12(17-13)14(15)16/h2-5,7-8H,6H2,1H3,(H2,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 14n/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))
BDBM50144562
PNG
(CHEMBL3759323)
Show SMILES CC1Cc2ccccc2-c2sc(cc12)C(N)=O
Show InChI InChI=1S/C14H13NOS/c1-8-6-9-4-2-3-5-10(9)13-11(8)7-12(17-13)14(15)16/h2-5,7-8H,6H2,1H3,(H2,15,16)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 40n/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