BDBM436070 US10611766, Example 23-isomer1

SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@H](O)CC2)c2ncnc(N)c12

InChI Key InChIKey=BKYSCRZQLODSDO-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 = 436070   

TargetTyrosine-protein kinase BTK [C481S](Human)
Loxo Oncology

US Patent
LigandPNGBDBM436070(US10611766, Example 23-isomer1)
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
In Depth
Date in BDB:
12/7/2020
Entry Details
US Patent

TargetTyrosine-protein kinase BTK(Human)
Loxo Oncology

US Patent
LigandPNGBDBM436070(US10611766, Example 23-isomer1)
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
In Depth
Date in BDB:
12/7/2020
Entry Details
US Patent

TargetEpidermal growth factor receptor(Human)
Loxo Oncology

US Patent
LigandPNGBDBM436070(US10611766, Example 23-isomer1)
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
In Depth
Date in BDB:
12/7/2020
Entry Details
US Patent