BDBM50557716 CHEMBL4782469

SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4F)c3nc2CO)[C@@H]1N

InChI Key InChIKey=LSRRXHJYUMQYHM-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50557716   

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Otsuka Pharmaceutical Co.

US Patent
LigandPNGBDBM50557716(CHEMBL4782469 | US12458640, Example 23)
Affinity DataIC50: 5.40nMAssay Description:The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2026
Entry Details US Patent

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Otsuka Pharmaceutical Co.

US Patent
LigandPNGBDBM50557716(CHEMBL4782469 | US12458640, Example 23)
Affinity DataIC50: 5.40nMAssay Description:Inhibition of SHP2 (unknown origin) assessed as conversion of DiFMUP to DiFMU measured for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed