BDBM391085 (2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((3- methyl-4-((S or R)-2- methylthiazolidine-3- carbonyl)phenyl)amino)-4- oxo-4,5-dihydro-1H- pyrazolo[4,3-c]pyridin-1- yl)tetrahydro-2H-pyran-2- carboxylate (from I-14-1A. Derived from Peak 1 via SFC on pyridone: Chiralpak AD-H, 20% iPrOH in CO2, Tr = 17.8 minutes)::US9957264, Example 5-156::US9957264, Example 5-157

SMILES CC1SCCN1C(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1C

InChI Key InChIKey=IUTTZLZCWPDUKP-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 = 391085   

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

US Patent
LigandPNGBDBM391085((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((3- meth...)
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
US Patent

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

US Patent
LigandPNGBDBM391085((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((3- meth...)
Affinity DataIC50: 0.190nMAssay 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
LigandPNGBDBM391085((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((3- meth...)
Affinity DataIC50: 0.270nMAssay 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
LigandPNGBDBM391085((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((3- meth...)
Affinity DataIC50: 0.300nMAssay 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