BDBM127452 US8791131, 226

SMILES Cn1c2cnc3ccc(nc3c2n(C2CCNCC2)c1=O)-c1cnn(CCO)c1

InChI Key InChIKey=POVVLZUOSSJECG-UHFFFAOYSA-N

Data  2 KI

  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 = 127452   

LigandChemical structure of BindingDB Monomer ID 127452BDBM127452(US8791131, 226)
Affinity DataKi:  52.1nM ΔG°:  -9.93kcal/molepH: 7.4 T: 2°CAssay Description:Compounds of the present invention were evaluated for potency against PI3-Kalpha using an in vitro kinase assay. PI3-Kalpha activity is measured in v...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details
US Patent

TargetSerine/threonine-protein kinase mTOR(Human)
Pfizer

US Patent
LigandChemical structure of BindingDB Monomer ID 127452BDBM127452(US8791131, 226)
Affinity DataKi:  105nM ΔG°:  -9.51kcal/molepH: 7.5 T: 2°CAssay Description:Compounds of the present invention were evaluated for potency against mTOR using an in vitro kinase assay. mTOR activity is measured in vitro by dete...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details
US Patent