BDBM488662 (R)-N-(3-(2-(2-fluoro-3- (methylsulfonyl)phenyl amino)- methylpyrimidin-4-yl)- 1H-indol-7-yl)-2-(4- methylpiperazin-1- yl)propanamide::US10961228, Example 2

SMILES Cc1cnc(Nc2cccc(S(C)(=O)=O)c2F)nc1-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12

InChI Key InChIKey=QLSDFTJXPRAZBZ-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 488662   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 488662BDBM488662(US10961228, Example 2 | (R)-N-(3-(2-(2-fluoro-3- (...)
Affinity DataIC50: 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 JAK2 [831-1132](Human)
AstraZeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 488662BDBM488662(US10961228, Example 2 | (R)-N-(3-(2-(2-fluoro-3- (...)
Affinity DataIC50: 7.35E+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 JAK2(Human)
AstraZeneca

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 488662BDBM488662(US10961228, Example 2 | (R)-N-(3-(2-(2-fluoro-3- (...)
Affinity DataIC50: 7.42E+3nMAssay Description:Inhibition of N-terminal GST-tagged human recombinant JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 peptide as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK3 [781-1124](Human)
AstraZeneca

US Patent
LigandChemical structure of BindingDB Monomer ID 488662BDBM488662(US10961228, Example 2 | (R)-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

TargetTyrosine-protein kinase JAK3(Human)
AstraZeneca

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 488662BDBM488662(US10961228, Example 2 | (R)-N-(3-(2-(2-fluoro-3- (...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of N-terminal GST-tagged human recombinant JAK3 (781 to 1124 residues) expressed in insect cells using 5FAM-GEEPLYWSFPAKKK-NH2 peptide as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed