BDBM488717 (S)-N-(3-(2-((2-fluoro-3- (methylsulfonyl)phenyl) amino)-5- methylpyrimidin-4-yl)- 1H-indol-7-yl)-2- (piperazin-1- yl)propanamide::US10961228, Example 25

SMILES Cc1cnc(Nc2cccc(S(C)(=O)=O)c2F)nc1-c1c[nH]c2c(NC(=O)[C@H](C)N3CCNCC3)cccc12

InChI Key InChIKey=CYWQBRIEXAJYFJ-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 488717   

TargetTyrosine-protein kinase JAK1 [866-1154](Human)
AstraZeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 488717BDBM488717(US10961228, Example 25 | (S)-N-(3-(2-((2-fluoro-3-...)
Affinity DataIC50: 22.8nMAssay Description:Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2021
Entry Details
US Patent

TargetTyrosine-protein kinase JAK2 [831-1132](Human)
AstraZeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 488717BDBM488717(US10961228, Example 25 | (S)-N-(3-(2-((2-fluoro-3-...)
Affinity DataIC50: 6.59E+3nMAssay Description:Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2021
Entry Details
US Patent

TargetTyrosine-protein kinase JAK3 [781-1124](Human)
AstraZeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 488717BDBM488717(US10961228, Example 25 | (S)-N-(3-(2-((2-fluoro-3-...)
Affinity DataIC50: 3.00E+4nMAssay Description:Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2021
Entry Details
US Patent