BDBM50069683 CHEMBL1718454

SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(OO)C(C)=C

InChI Key InChIKey=AJERVVHSERWGFL-UHFFFAOYSA-N

Data  1 IC50

  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 3 hits for monomerid = 50069683   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50069683(CHEMBL1718454)
Affinity DataIC50: 3.86E+3nMAssay Description:Inhibition of PTP1B (unknown origin) using pNPP substrate measured after 3 mins by colorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2016
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50069683(CHEMBL1718454)
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50069683(CHEMBL1718454)
Affinity DataKi:  1.61E+4nMAssay Description:Binding affinity to SARS-CoV MPro transfected in Escherichia coli BL21 (DE3) assessed as inhibition constant by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed