BDBM50543232 CHEMBL1577069

SMILES Cc1cc(c(n1C2CC2)C)C(=O)O

InChI Key InChIKey=VOOZJPFNBFNPEK-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50543232   

TargetPalmitoleoyl-protein carboxylesterase NOTUM(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50543232(CHEMBL1577069)
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)