BDBM111713 US8618111, F-5

SMILES COCCC(=O)NCC1CCN(CC1)c1ncnc(C)c1C#Cc1ccc(N)nc1

InChI Key InChIKey=YEXFZJLTJPZMAH-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 111713   

TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM111713(US8618111, F-5)
Affinity DataIC50:  69nMpH: 7.5 T: 0°CAssay Description:PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetSerine/threonine-protein kinase mTOR(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM111713(US8618111, F-5)
Affinity DataIC50:  18nMpH: 7.5 T: 25°CAssay Description:The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...More data for this Ligand-Target Pair
In DepthDetails US Patent