BDBM50341733 3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide::CHEMBL1766779::US10479784, Compound I-82::US10961232, Compound I-82
SMILES: CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1
InChI Key: InChIKey=DUIHHZKTCSNTGM-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 |
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Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | US Patent | 55 | 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 | |||||||||||||
Serine/threonine-protein kinase ATR (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | US Patent | 55 | 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 | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Maastricht University Medical Centre Curated by ChEMBL | Assay Description Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay | Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Maastricht University Medical Centre Curated by ChEMBL | Assay Description Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assay | Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Maastricht University Medical Centre Curated by ChEMBL | Assay Description Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assay | Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Maastricht University Medical Centre Curated by ChEMBL | Assay Description Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay | Eur J Med Chem 127: 691-702 (2017) BindingDB Entry DOI: 10.7270/Q2MK6G3G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description 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 | |||||||||||||
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.40E+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-protein kinase ATM (Homo sapiens (Human)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE 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)) | BDBM50341733 (3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 26 | 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 |