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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50341712   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341712
PNG
(3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19)(H,20,22)
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n/an/a 620n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50341712
PNG
(3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19)(H,20,22)
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n/an/a 620n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of DNA-PK


Bioorg Med Chem Lett 22: 5352-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM50341712
PNG
(3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19)(H,20,22)
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n/an/a>2.50E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Serine-protein kinase ATM


(Homo sapiens (Human))
BDBM50341712
PNG
(3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19)(H,20,22)
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n/an/a>8.00E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50341712
PNG
(3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19)(H,20,22)
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PubMed
n/an/a>8.00E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50341712
PNG
(3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...)
Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19)(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 54: 2320-30 (2011)


Article DOI: 10.1021/jm101488z
BindingDB Entry DOI: 10.7270/Q2WS8TK6
More data for this
Ligand-Target Pair