BDBM420609 US10479784, Compound IA-116::US10961232, Compound IA-116

SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1

InChI Key InChIKey=RAYLZZYHGLFBRJ-UHFFFAOYSA-N

Data  6 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 7 hits for monomerid = 420609   

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

Curated by ChEMBL
LigandPNGBDBM420609(US10479784, Compound IA-116 | US10961232, Compound...)
Affinity DataKi:  1nMAssay 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
Ligand Info
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420609(US10479784, Compound IA-116 | US10961232, Compound...)
Affinity DataKi: <10nMAssay 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
Ligand Info
In DepthDetails US Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420609(US10479784, Compound IA-116 | US10961232, Compound...)
Affinity DataKi: <10nMAssay 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
Ligand Info
In DepthDetails US Patent
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420609(US10479784, Compound IA-116 | US10961232, Compound...)
Affinity DataKi:  22nMAssay Description:Inhibition of human GSK3betaMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420609(US10479784, Compound IA-116 | US10961232, Compound...)
Affinity DataKi:  8.90E+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
Ligand Info
In DepthDetails ArticlePubMed
TargetSerine-protein kinase ATM(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420609(US10479784, Compound IA-116 | US10961232, Compound...)
Affinity DataKi: >1.00E+4nMAssay 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
Ligand Info
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM420609(US10479784, Compound IA-116 | US10961232, Compound...)
Affinity DataIC50:  410nMAssay 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
Ligand Info
In DepthDetails ArticlePubMed