BDBM391014 US9957264, Example 5-85::US9957264, Example 5-86::{(1R,2R)-2-fluoro-1-[4- oxo-3-({4-[(1S or 1R)-2,2,2- trifluoro-1-hydroxy-1- methylethyl]phenyl} amino)-4,5-dihydro-1H- pyrazolo[4,3-c]pyridin-1- yl]cyclohexyl}acetonitrile (derived from aryl bromide I-32A and I-19A)

SMILES CC(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F

InChI Key InChIKey=RSHOQZPUWNYQDO-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 = 391014   

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

US Patent
LigandPNGBDBM391014(US9957264, Example 5-86 | {(1R,2R)-2-fluoro-1-[4- ...)
Affinity DataIC50: 0.0700nMAssay 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
Go to US Patent

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

US Patent
LigandPNGBDBM391014(US9957264, Example 5-86 | {(1R,2R)-2-fluoro-1-[4- ...)
Affinity DataIC50: 0.170nMAssay 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
Go to US Patent

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

US Patent
LigandPNGBDBM391014(US9957264, Example 5-86 | {(1R,2R)-2-fluoro-1-[4- ...)
Affinity DataIC50: 0.0700nMAssay 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
Go to US Patent

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

US Patent
LigandPNGBDBM391014(US9957264, Example 5-86 | {(1R,2R)-2-fluoro-1-[4- ...)
Affinity DataIC50: 0.110nMAssay 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
Go to US Patent