BDBM50579723 CHEMBL5084693

SMILES COC(=O)CCC(=O)N1CCc2c1cccc2

InChI Key InChIKey=AYMVNVWATJUROX-UHFFFAOYSA-N

Data  3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50579723   

TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579723(CHEMBL5084693)
Affinity DataIC50: 93nMAssay Description:Covalent inhibition of glycosylated Notum 1 (unknown origin) using OPTS as reporter substrate incubated for 40 mins by microplate reader based analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579723(CHEMBL5084693)
Affinity DataEC50:  530nMAssay Description:Inhibition of Notum 1 (unknown origin) expressed in HEK293 cells harbouring TCF/LEF luciferase reporter gene assessed as modulation of Wnt/beta-caten...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579723(CHEMBL5084693)
Affinity DataIC50: 90nMAssay Description:Inhibition of human Notum (81 to 451 Cys330Ser) using OPTS as substrate incubated for 40 mins by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50579723(CHEMBL5084693)
Affinity DataIC50: 93nMAssay Description:Inhibition of human recombinant Notum (81 to T451 residues) expressed in HEK293S cells using OPTS as substrate incubated for 40 mins by microplate re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)