BDBM722918 US20250059220, Compound 31

SMILES O=C(NCc1cccnn1)c1ccc2sc(C(F)(F)P(=O)(O)O)c(Br)c2c1

InChI Key InChIKey=KCQUQDBKMRSDOO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 722918   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 722918BDBM722918(US20250059220, Compound 31)
Affinity DataIC50: 1.36E+3nMAssay Description:Test compounds were dissolved in DMSO, and 10-point serial 3-fold dilution series in DMSO were prepared in Echo Qualified 384-well Polypropylene Micr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetReceptor-type tyrosine-protein phosphatase N2(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 722918BDBM722918(US20250059220, Compound 31)
Affinity DataIC50: 1.47E+3nMAssay Description:Test compounds were dissolved in DMSO, and 10-point serial 3-fold dilution series in DMSO were prepared in Echo Qualified 384-well Polypropylene Micr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/19/2025
Entry Details
US Patent