null

SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1cn(nn1)-c1ccccc1

InChI Key InChIKey=GJAQQKJDEHDCCU-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 132734   

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

US Patent
LigandPNGBDBM132734(US8846917, I-1)copy SMILEScopy InChI
Affinity DataKi:  6nM ΔG°:  -11.2kcal/molepH: 7.5 T: 2°CAssay 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 InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2CC0ZCBUS Patent
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals Incorporated

US Patent
LigandPNGBDBM132734(US8846917, I-1)copy SMILEScopy InChI
Affinity DataKi:  6nMAssay 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 InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BZ69C9PubMed
TargetSerine-protein kinase ATM(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM132734(US8846917, I-1)copy SMILEScopy InChI
Affinity DataKi:  1.30E+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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BZ69C9PubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL
LigandPNGBDBM132734(US8846917, I-1)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BZ69C9PubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals Incorporated

US Patent
LigandPNGBDBM132734(US8846917, I-1)copy SMILEScopy InChI
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
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BZ69C9PubMed