BDBM50546222 CHEMBL4752599

SMILES N[C@@H]1c2ccncc2CC11CCN(CC1)c1cnc(Sc2ccnc(N)c2Cl)c(N)n1

InChI Key InChIKey=HESMLNQOTOVZRA-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 3 hits for monomerid = 50546222   

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50546222(CHEMBL4752599)
Affinity DataKd:  0.920nMAssay Description:Binding affinity to SHP2 (unknown origin) by SPR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50546222(CHEMBL4752599)
Affinity DataIC50: 3nMAssay Description:Allosteric inhibition of dPEG8 peptide-activated SHP2 (unknown origin) using DiFMUP as substrate preincubated for 30 followed by substrate addition a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
Jacobio Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50546222(CHEMBL4752599)
Affinity DataIC50: 4.70nMAssay Description:Inhibition of LN(pY)IDLDLV(dPEG8)LST(pY)ASINFQKASINFQK-NH2-activated SHP2 (unknown origin) using DiFMUP as substrate pretreated with enzyme for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed