BDBM391105 US9957264, Example 5-176::US9957264, Example 5-177::{(1R,2R)-1-[3-({4-[(1R or 1S)-1-amino-2,2,2- trifluoroethyl]phenyl} amino)-4-oxo-4,5- dihydro-1H-pyrazolo [4,3-c]pyridin-1-yl]-2- fluorocyclohexyl} acetonitrile (from I-19A and I-29A)

SMILES N#CC[C@]1(n2nc(Nc3ccc(C(N)C(F)(F)F)cc3)c3c(=O)[nH]ccc32)CCCC[C@H]1F

InChI Key InChIKey=VEDSSZUWHRJVAK-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 391105   

TargetTyrosine-protein kinase JAK1(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 391105BDBM391105({(1R,2R)-1-[3-({4-[(1R or 1S)-1-amino-2,2,2- trifl...)
Affinity DataIC50: 0.0500nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

TargetTyrosine-protein kinase JAK1(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 391105BDBM391105({(1R,2R)-1-[3-({4-[(1R or 1S)-1-amino-2,2,2- trifl...)
Affinity DataIC50: 0.0900nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

TargetTyrosine-protein kinase JAK2(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 391105BDBM391105({(1R,2R)-1-[3-({4-[(1R or 1S)-1-amino-2,2,2- trifl...)
Affinity DataIC50: 0.0900nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

TargetTyrosine-protein kinase JAK2(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 391105BDBM391105({(1R,2R)-1-[3-({4-[(1R or 1S)-1-amino-2,2,2- trifl...)
Affinity DataIC50: 0.160nMAssay 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 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent