BDBM50428108 CHEMBL2331669::US8791131, 255

SMILES C[C@H](O)C(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6[nH]ncc56)nc4c32)CC1

InChI Key InChIKey=YVXILUOSLZRLOG-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50428108   

LigandChemical structure of BindingDB Monomer ID 50428108BDBM50428108(CHEMBL2331669 | US8791131, 255)
Affinity DataKi:  0.395nMAssay Description:Inhibition of mouse PI3KalphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
LigandChemical structure of BindingDB Monomer ID 50428108BDBM50428108(CHEMBL2331669 | US8791131, 255)
Affinity DataKi:  0.721nM ΔG°:  -12.5kcal/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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50428108BDBM50428108(CHEMBL2331669 | US8791131, 255)
Affinity DataKi:  2.60nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Pfizer

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50428108BDBM50428108(CHEMBL2331669 | US8791131, 255)
Affinity DataKi:  2.63nM ΔG°:  -11.7kcal/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