BDBM50437436 CHEMBL2409216::US8841450, I-1

SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C1CC(=NO1)c1ccccc1

InChI Key InChIKey=GPBDAISQSIENJA-UHFFFAOYSA-N

Data  5 KI  1 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 6 hits for monomerid = 50437436   

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

US Patent
LigandPNGBDBM50437436(CHEMBL2409216 | US8841450, I-1)
Affinity DataKi:  16nMpH: 7.5Assay Description:Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM50437436(CHEMBL2409216 | US8841450, I-1)
Affinity DataKi:  90nMAssay Description:Inhibition of ATR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM50437436(CHEMBL2409216 | US8841450, I-1)
Affinity DataKi:  90nMAssay Description:Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM50437436(CHEMBL2409216 | US8841450, I-1)
Affinity DataKi: >4.00E+3nMAssay Description:Inhibition of purified recombinant human full-length DNA-PK using EPPLSQEAFADLWKKK peptide as substrate measured after 2 hrs in presence of [gamma-33...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine-protein kinase ATM(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM50437436(CHEMBL2409216 | US8841450, I-1)
Affinity DataKi: >4.00E+3nMAssay Description:Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals

US Patent
LigandPNGBDBM50437436(CHEMBL2409216 | US8841450, I-1)
Affinity DataIC50: >2.50E+3nMAssay Description:Inhibition of ATR in human HCT116 cells assessed as reduction in histone H2AX phosphorylation by Hoechst staining-based immunofluorescence microscopi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed