BDBM391187 2-((3R,4R or 3S,4S)-3- fluoro-4-(3-((3-methyl-4- (morpholine-4- carbonyl)phenyl)amino)-4- oxo-4,5-dihydro-1H- pyrazolo[4,3-c]pyridin-1- yl)tetrahydro-2H-pyran-4- yl)acetonitrile (derived from I-22A)::US9957264, Example 5-258
SMILES: Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC[C@@H]2F)ccc1C(=O)N1CCOCC1
InChI Key:
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM391187 (2-((3R,4R or 3S,4S)-3- fluoro-4-(3-((3-methyl-4- (...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ... | Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM391187 (2-((3R,4R or 3S,4S)-3- fluoro-4-(3-((3-methyl-4- (...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ... | Bioorg Med Chem Lett 19: 360-4 (2009) BindingDB Entry DOI: 10.7270/Q2KH0QN8 | |||||||||||
More data for this Ligand-Target Pair |