BDBM628715 (S)-(3-(1-amino-1,3-dihydrospiro[ indene-2,4'-piperidin]-1'-yl)-6-(3-( 3-(methylthio)phenoxy)prop-1-yn -1-yl)pyrazin-2-yl)methanol::US20230339882, Example A37

SMILES CS(=O)(=O)c1cccc(OCC#Cc2cnc(N3CCC4(Cc5ccccc5[C@H]4N)CC3)c(CO)n2)c1

InChI Key InChIKey=KPCRNVKFWITQSI-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 628715   

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

US Patent
LigandPNGBDBM628715((S)-(3-(1-amino-1,3-dihydrospiro[ indene-2,4'-pipe...)
Affinity DataIC50: 2nMAssay Description:SHP2 is allosterically activated by binding of a bis-tyrosyl-phosphorylated peptide to its Src homology 2 (SH2) domain. This later activation step re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2023
Entry Details
US Patent