BDBM50649516 CHEMBL5619806

SMILES CC(C)(CCOc1ccc2cc(c(c(c2c1)F)N3CC(=O)NS3(=O)=O)O)O

InChI Key InChIKey=KJYRSQLWJMEJNM-UHFFFAOYSA-N

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 4 hits for monomerid = 50649516   

TargetTyrosine-protein phosphatase non-receptor type 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50649516BDBM50649516(CHEMBL5619806)
Affinity DataIC50: 0.580nMAssay Description:Inhibition of PTPN2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Fudan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50649516BDBM50649516(CHEMBL5619806)
Affinity DataIC50: 0.600nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein phosphatase non-receptor type 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50649516BDBM50649516(CHEMBL5619806)
Affinity DataIC50: 0.600nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/6/2026
Entry Details PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Fudan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50649516BDBM50649516(CHEMBL5619806)
Affinity DataIC50: 0.630nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)