BDBM50468002 CHEMBL4291436

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

InChI Key InChIKey=KEBPTIFOURCVEJ-UHFFFAOYSA-N

Data  14 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50468002   

TargetSerine/threonine-protein kinase ATR(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
Affinity DataIC50: 2nMAssay 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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
Affinity DataIC50: 8nMAssay Description:Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
Affinity DataIC50: 52nMAssay Description:Inhibition of mTOR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
LigandPNGBDBM50468002(CHEMBL4291436)
Affinity DataIC50: 300nMAssay 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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
Affinity DataIC50: 1.50E+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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase mTOR(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
Affinity DataIC50: 4.00E+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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
LigandPNGBDBM50468002(CHEMBL4291436)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of human ERG by whole cell electrophysiology analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetSerine-protein kinase ATM(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50468002(CHEMBL4291436)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed