BDBM278268 2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole-3-carbonyl)piperidin-4-yl)oxy)-5-(4-((3-methyl-4-(1-methylpiperidin-4-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile::US10040781, Example 490::US10253019, Example 490
SMILES: CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3nnc(C)[nH]3)c(c2)C#N)cc1C
InChI Key:
Data: 6 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM278268 (2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Gilead Sciences, Inc. US Patent | Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m... | US Patent US10040781 (2018) BindingDB Entry DOI: 10.7270/Q22V2J41 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human)) | BDBM278268 (2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <1 | n/a | n/a | n/a | n/a | 7.0 | n/a |
Gilead Sciences, Inc. US Patent | Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m... | US Patent US10040781 (2018) BindingDB Entry DOI: 10.7270/Q22V2J41 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM278268 (2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rome La Sapienza | Assay Description Enzymatic activity of hJAK2 was measured using a LANCE homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors... | J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein cereblon/Serine/threonine-protein kinase TBK1 (Homo sapiens (Human)) | BDBM278268 (2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rome La Sapienza | Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m... | J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human)) | BDBM278268 (2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rome La Sapienza | Assay Description Enzymatic activity of IKKε and TBK1 was measured using a homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that m... | J Med Chem 50: 6554-69 (2007) BindingDB Entry DOI: 10.7270/Q2Q52RXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM278268 (2-(((3R,4S)-3-fluoro-1-(5-methyl-4H-1,2,4-triazole...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 7.80E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Gilead Sciences, Inc. US Patent | Assay Description Enzymatic activity of hJAK2 was measured using a LANCE homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay that monitors... | US Patent US10040781 (2018) BindingDB Entry DOI: 10.7270/Q22V2J41 | |||||||||||
More data for this Ligand-Target Pair |