BDBM50341744 3-amino-6-(3-chloro-4-(dimethylcarbamoyl)phenyl)-N-phenylpyrazine-2-carboxamide::CHEMBL1766790
SMILES: CN(C)C(=O)c1ccc(cc1Cl)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
InChI Key: InChIKey=TWOICITWNIMEKO-UHFFFAOYSA-N
Data: 4 IC50
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)) | BDBM50341744 (3-amino-6-(3-chloro-4-(dimethylcarbamoyl)phenyl)-N...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 48 | 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/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM50341744 (3-amino-6-(3-chloro-4-(dimethylcarbamoyl)phenyl)-N...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+4 | 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 | |||||||||||||
Serine-protein kinase ATM (Homo sapiens (Human)) | BDBM50341744 (3-amino-6-(3-chloro-4-(dimethylcarbamoyl)phenyl)-N...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 | |||||||||||||
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM50341744 (3-amino-6-(3-chloro-4-(dimethylcarbamoyl)phenyl)-N...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 |