BDBM333136 (S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)(3-(piperidin-1-yl)azetidin-1-yl)methanone, 2TFA::US10196393, Example 8-14::US10550118, Example 8-14::US10954237, Example 8-14
SMILES: CCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
InChI Key: InChIKey=VJHRMGFNVRUSFE-AGKRGSABSA-N
Data: 8 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC US Patent | Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... | US Patent US10954237 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC US Patent | Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... | US Patent US10954237 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC US Patent | Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... | US Patent US10550118 (2020) BindingDB Entry DOI: 10.7270/Q25D8V88 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THERAVANCE BIOPHARMA R&D IP, LLC US Patent | Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... | US Patent US10196393 (2019) BindingDB Entry DOI: 10.7270/Q2ST7RZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC US Patent | Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... | US Patent US10954237 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC US Patent | Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... | US Patent US10954237 (2021) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THERAVANCE BIOPHARMA R&D IP, LLC US Patent | Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... | US Patent US10196393 (2019) BindingDB Entry DOI: 10.7270/Q2ST7RZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK3 (Homo sapiens (Human)) | BDBM333136 ((S)-(5-ethyl-2-(6-(2-ethyl-5-fluoro-4-hydroxypheny...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC US Patent | Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... | US Patent US10550118 (2020) BindingDB Entry DOI: 10.7270/Q25D8V88 | |||||||||||
More data for this Ligand-Target Pair |