BDBM391048 2-((S)-3-(3-(((S or R)-1- hydroxy-2,2-dimethyl-1- (trifluoromethyl)-2,3- dihydro-1H-inden-5- yl)amino)-4-oxo-4,5- dihydro-1H-pyrazolo[4,3- c]pyridin-1-yl)tetrahydro- 2H-pyran-3-yl)acetonitrile (from I-17B and I-36. Derived from Peak 1 on free pyridone via SFC: Chiralpak OJ-H, 20% MeOH in CO2, Tr = 4.8 minutes)::US9957264, Example 5-119::US9957264, Example 5-120

SMILES CC1(C)Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2C1(O)C(F)(F)F

InChI Key InChIKey=OTBGXODPXJHIIB-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 = 391048   

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

US Patent
LigandPNGBDBM391048(2-((S)-3-(3-(((S or R)-1- hydroxy-2,2-dimethyl-1- ...)
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
US Patent

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

US Patent
LigandPNGBDBM391048(2-((S)-3-(3-(((S or R)-1- hydroxy-2,2-dimethyl-1- ...)
Affinity DataIC50: 0.120nMAssay 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
LigandPNGBDBM391048(2-((S)-3-(3-(((S or R)-1- hydroxy-2,2-dimethyl-1- ...)
Affinity DataIC50: 0.150nMAssay 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
LigandPNGBDBM391048(2-((S)-3-(3-(((S or R)-1- hydroxy-2,2-dimethyl-1- ...)
Affinity DataIC50: 0.630nMAssay 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