BDBM412847 US10399989, Example 60::US10611766, Example 60

SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](NC(C)=O)C=C2)c2ncnc(N)c12

InChI Key InChIKey=ZBLFVHJQMNFDSU-PMACEKPBSA-N

Data  6 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 6 hits for monomerid = 412847   

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

US Patent
LigandPNGBDBM412847(US10399989, Example 60 | US10611766, Example 60)
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
TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))
Loxo Oncology

US Patent
LigandPNGBDBM412847(US10399989, Example 60 | US10611766, Example 60)
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
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Loxo Oncology

US Patent
LigandPNGBDBM412847(US10399989, Example 60 | US10611766, Example 60)
Affinity DataIC50:  5.50E+3nMAssay 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(Homo sapiens (Human))
Loxo Oncology

US Patent
LigandPNGBDBM412847(US10399989, Example 60 | US10611766, Example 60)
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
TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))
Loxo Oncology

US Patent
LigandPNGBDBM412847(US10399989, Example 60 | US10611766, Example 60)
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
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Loxo Oncology

US Patent
LigandPNGBDBM412847(US10399989, Example 60 | US10611766, Example 60)
Affinity DataIC50:  5.50E+3nMAssay 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