BDBM391028 (2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (cyclopropylsulfonyl) phenyl)amino)-4-oxo- 4,5-dihydro-1H-pyrazolo [4,3-c]pyridin-1-yl) tetrahydro-2H-pyran-2- carboxylate (from I-14-1A)::US9957264, Example 5-236::US9957264, Example 5-99
SMILES: CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)c2c1cc[nH]c2=O
InChI Key:
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase JAK1 (Homo sapiens (Human)) | BDBM391028 ((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (cyc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.0500 | 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 JAK2 (Homo sapiens (Human)) | BDBM391028 ((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (cyc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.25 | 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)) | BDBM391028 ((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (cyc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.120 | 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 JAK2 (Homo sapiens (Human)) | BDBM391028 ((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (cyc...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.140 | 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 |