BDBM596097 US11591336, Compound 200

SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc3c(n[nH]c3n2)N2CCCc3ncccc23)[C@@H]1N

InChI Key InChIKey=ANVMSZVVOUZGMH-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 596097   

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
D. E. Shaw Research

US Patent
LigandPNGBDBM596097(US11591336, Compound 200)
Affinity DataIC50: 1.00E+3nMAssay Description:SHP2 is allosterically activated through binding of bis-tyrosyl-phorphorylated peptides to its Src Homology 2 (SH2) domains. The latter activation st...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2023
Entry Details
Go to US Patent

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
D. E. Shaw Research

US Patent
LigandPNGBDBM596097(US11591336, Compound 200)
Affinity DataIC50: 5nMAssay Description:Inhibition of wild-type full-length SHP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using DiFMUP as substrate preincubated for 30 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed