BDBM412879 US10399989, Example 92

SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)(O)CC2)c2ncnc(N)c12

InChI Key InChIKey=XTFLKGHHTCJHHC-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 412879   

TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Loxo Oncology

US Patent
LigandPNGBDBM412879(US10399989, Example 92)
Affinity DataIC50: <10nMAssay Description:BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Loxo Oncology

US Patent
LigandPNGBDBM412879(US10399989, Example 92)
Affinity DataIC50:  550nMAssay Description:EGFR binding affinity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5 nM Recombinant EGFR, var...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))
Loxo Oncology

US Patent
LigandPNGBDBM412879(US10399989, Example 92)
Affinity DataIC50: <10nMAssay Description:BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent