BDBM50341712 3-amino-N,6-diphenylpyrazine-2-carboxamide::CHEMBL1766759::US10479784, Compound I-15::US10961232, Compound I-15
SMILES: Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
InChI Key: InChIKey=RNMJNHVCCXRKJE-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM50341712 (3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED US Patent | Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... | US Patent US10961232 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM50341712 (3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | 5.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED US Patent | Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu... | US Patent US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM50341712 (3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM50341712 (3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Serine-protein kinase ATM (Homo sapiens (Human)) | BDBM50341712 (3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM50341712 (3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM50341712 (3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50341712 (3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |