BDBM245467 US9428503, CN102399218A: Compound 114

SMILES COc1ncc(cc1NS(=O)(=O)C1CC1)-c1ccc2ncc3n(C)c(=O)n(C4CC4)c3c2c1

InChI Key InChIKey=DYJRBYYBKYZZGT-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 245467   

LigandChemical structure of BindingDB Monomer ID 245467BDBM245467(US9428503, CN102399218A: Compound 114)
Affinity DataIC50: 13.1nMT: 2°CAssay Description:Assay c) BT474 cells (human breast ductal carcinoma, ATCC HTB-20) were seeded into black 384 well plates (Costar, #3712) at a density of 5600 cells/w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details
US Patent

TargetSerine/threonine-protein kinase mTOR(Human)
AstraZeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 245467BDBM245467(US9428503, CN102399218A: Compound 114)
Affinity DataIC50: 46.9nMT: 2°CAssay Description:Assay d) MDA-MB-468 cells (human breast adenocarcinoma ##ATCC HTB 132) were seeded at 1500 cells/well in 40 μl of DMEM containing 10% FBS and 1% g...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details
US Patent

TargetSerine/threonine-protein kinase ATR(Human)
AstraZeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 245467BDBM245467(US9428503, CN102399218A: Compound 114)
Affinity DataIC50: 68.6nMT: 2°CAssay Description:Assay b) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 6000 cells/well in 40 μl EMEM medium c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details
US Patent

TargetSerine-protein kinase ATM(Human)
AstraZeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 245467BDBM245467(US9428503, CN102399218A: Compound 114)
Affinity DataIC50: 74.1nMT: 2°CAssay Description:Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details
US Patent