BDBM50406431 CHEMBL5278011

SMILES CNc1nccc(Sc2cnc3[nH]c(nc3n2)N2CCC3(Cc4ccccc4[C@H]3N)CC2)c1Cl

InChI Key InChIKey=LIRDXRZDIYCZRT-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  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 = 50406431   

LigandPNGBDBM50406431(CHEMBL5278011)
Affinity DataIC50: 6nMAssay Description:Allosteric inhibition of IRS1 peptide-activated human recombinant SHP2 (Met1 to Leu525) expressed in Escherichia coli assessed as inhibition of depho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
LigandPNGBDBM50406431(CHEMBL5278011)
Affinity DataEC50:  37nMAssay Description:Allosteric inhibition of SHP2 in human KYSE-520 cells assessed as inhibition of ERK phosphorylation incubated for 2 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
LigandPNGBDBM50406431(CHEMBL5278011)
Affinity DataIC50: 4.20E+3nMAssay Description:Displacement of E-4031 from hERG by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed