BDBM50526928 CHEMBL4555040

SMILES Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC

InChI Key InChIKey=MFVOIPKDSOFMQO-UHFFFAOYSA-N

Data  4 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50526928   

TargetDual specificity protein kinase TTK(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50526928(CHEMBL4555040)
Affinity DataIC50: 40nMAssay Description:Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human full-length GST-tagged TTK expressed in baculovirus expression system measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50526928(CHEMBL4555040)
Affinity DataIC50: 0.316nMAssay Description:Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50526928(CHEMBL4555040)
Affinity DataIC50: 32nMAssay Description:Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-induced autophosphorylation at S2056 residue preincubated for 1 hr foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
LigandPNGBDBM50526928(CHEMBL4555040)
Affinity DataIC50: 13nMAssay Description:Inhibition of AlexaFluor-labeled tracer 236 binding to recombinant human His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in bacul...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)