BDBM53574 4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoic acid::4-[5-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-4-oxobutanoic acid::4-[5-[4-(4-fluorophenyl)piperazino]sulfonylindolin-1-yl]-4-keto-butyric acid::4-[5-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid::MLS000120717::SMR000097559::US8623906, XW2-011B::US9174969, XW2-011B::cid_5309616

SMILES OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1

InChI Key InChIKey=YQCMDUVJBCKDSW-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 53574   

TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM53574(SMR000097559 | US8623906, XW2-011B | 4-[5-[[4-(4-f...)
Affinity DataIC50: 3.77E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 11(Human)
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM53574(SMR000097559 | US8623906, XW2-011B | 4-[5-[[4-(4-f...)
Affinity DataIC50: 3.19E+4nMAssay Description:In vitro Shp2 PTP activity inhibition assay for determination of IC50 was performed with a recombinant GST-Shp2 PTP domain protein using 6,8-difluoro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2014
Entry Details
Go to US Patent

TargetTyrosine-protein phosphatase non-receptor type 11(Human)
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM53574(SMR000097559 | US8623906, XW2-011B | 4-[5-[[4-(4-f...)
Affinity DataIC50: 3.19E+4nMAssay Description:IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay. More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2016
Entry Details
Go to US Patent

TargetTyrosine-protein phosphatase non-receptor type 7(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM53574(SMR000097559 | US8623906, XW2-011B | 4-[5-[[4-(4-f...)
Affinity DataIC50: 4.78E+4nMAssay Description:IC50 values for indoline Shp2 inhibitors of the present invention, as determined by in vitro phosphotyrosine phosphatase activity (DiFMUP) assay. More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2016
Entry Details
Go to US Patent