BDBM488684 (S)-N-(3-(2-((2-fluoro- 3- (methylsulfonyl)phenyl) amino)-5- methylpyrimidin-4-yl)- 1H-indol-7-yl)-2-(4- methylpiperazin-1- yl)butanamide::US10961228, Example 13

SMILES CC[C@@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3C)c[nH]c12)N1CCN(C)CC1

InChI Key InChIKey=IVRBIACRKQZTJW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 488684   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 488684BDBM488684(US10961228, Example 13 | (S)-N-(3-(2-((2-fluoro- 3...)
Affinity DataIC50: 22.4nMAssay 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

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

US Patent
LigandChemical structure of BindingDB Monomer ID 488684BDBM488684(US10961228, Example 13 | (S)-N-(3-(2-((2-fluoro- 3...)
Affinity DataIC50: 2.61E+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

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

US Patent
LigandChemical structure of BindingDB Monomer ID 488684BDBM488684(US10961228, Example 13 | (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