BDBM50557395 CHEMBL4762807::US20240140952, Compound 7

SMILES Cc1cnc(nc1Nc2ccc3c(c2)N(CC3)S(=O)(=O)C(C)(C)C)Nc4ccc(c(c4)F)C5CCN(CC5)C

InChI Key InChIKey=CIDSGDKXNGKZIH-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match this monomer.

  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 = 50557395   

TargetTyrosine-protein kinase JAK2(Human)
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM50557395(CHEMBL4762807 | US20240140952, Compound 7 | US1239...)
Affinity DataIC50: 1.10nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM50557395(CHEMBL4762807 | US20240140952, Compound 7 | US1239...)
Affinity DataIC50: 3.60nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2024
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM50557395(CHEMBL4762807 | US20240140952, Compound 7 | US1239...)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of human JAK2 by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM50557395(CHEMBL4762807 | US20240140952, Compound 7 | US1239...)
Affinity DataIC50: 6.40nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2025
Entry Details
US Patent