BDBM50341747 3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide::CHEMBL1766793

SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1

InChI Key InChIKey=SIJVOCXXIKNHDX-UHFFFAOYSA-N

Data  3 KI  5 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50341747   

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

Curated by ChEMBL
LigandPNGBDBM50341747(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Affinity DataKi:  4nMAssay 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
LigandPNGBDBM50341747(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Affinity DataKi:  2.80E+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
LigandPNGBDBM50341747(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
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 (Europe)

Curated by ChEMBL
LigandPNGBDBM50341747(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Affinity DataIC50:  1.03E+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
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM50341747(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Affinity DataIC50:  8nMAssay Description:Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM50341747(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Affinity DataIC50:  5.60E+3nMAssay Description:Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM50341747(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine-protein kinase ATM(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM50341747(3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpy...)
Affinity DataIC50: >8.00E+3nMAssay Description:Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed