BDBM391027 (2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (isopropylsulfonyl)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 5-237::US9957264, Example 5-98

SMILES CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1

InChI Key InChIKey=WXKHYZJBGITZPX-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 391027   

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

US Patent
LigandPNGBDBM391027(US9957264, Example 5-237 | (2S,5S)-tert-butyl 5- (...)
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
LigandPNGBDBM391027(US9957264, Example 5-237 | (2S,5S)-tert-butyl 5- (...)
Affinity DataIC50: 0.180nMAssay 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
LigandPNGBDBM391027(US9957264, Example 5-237 | (2S,5S)-tert-butyl 5- (...)
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
Go to US Patent

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

US Patent
LigandPNGBDBM391027(US9957264, Example 5-237 | (2S,5S)-tert-butyl 5- (...)
Affinity DataIC50: 0.280nMAssay 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