BDBM103467 US8552004, 2.03

SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C

InChI Key InChIKey=RNWQBYSLLMABRN-AOKYCLIISA-N

Data  16 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 16 hits for monomerid = 103467   

TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50:  5.61nMpH: 7.4 T: 2°CAssay Description:ATR for use in the in vitro enzyme assay was obtained from HeLa nuclear extract (CIL Biotech, Mons, Belgium) by immunoprecipitation with rabbit polyc...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50:  150nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50:  9.80E+3nMAssay Description:Inhibition of mTOR in human MDA-MB-468 cells assessed as decrease in AKT phosphorylation at S473 residueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine-protein kinase ATM(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of ATM phosphorylation at Ser1981 residue in human HT-29 cells using ionizing radiationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50:  9nMAssay Description:Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase mTOR(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50:  3.10E+3nMAssay Description:Inhibition of mTOR in human MDA-MB-468 cells assessed as decrease in 70S6K S235/236 phosphorylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured aft...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50:  6nMAssay Description:Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using midazolam as substrate preincubated for 15 mins followed by substrate addition and measured afte...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of PI3Kalpha in human BT-474 cells assessed as decrease in AKT phosphorylation at T308 residueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of DNA-PK phosphorylation at Ser2056 residue in human HT-29 cells using ionizing radiationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human ERG by whole cell electrophysiology analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM103467(US8552004, 2.03)
Affinity DataIC50:  7.05nMAssay Description:ATM and ATR have distinct and overlapping responses to DNA damage. They must participate together and responses must be co-ordinated. Both pathways...More data for this Ligand-Target Pair
In DepthDetails US Patent