BDBM50514908 CHEMBL4539227::US12110278, Compound 9

SMILES c1cc(ccc1C#N)Nc2nc(n(n2)C(=O)Nc3ccc(cc3)OCC(=O)O)N

InChI Key InChIKey=TWAPQXNNCFSTFQ-UHFFFAOYSA-N

Data  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50514908   

TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50514908(CHEMBL4539227 | US12110278, Compound 9)
Affinity DataKd:  643nMAssay Description:Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2 [536-812,W659A,W777A,F794H](Human)
Yale University

US Patent
LigandPNGBDBM50514908(CHEMBL4539227 | US12110278, Compound 9)
Affinity DataKd:  643nMAssay Description:In a flat black bottom 96 well plate (Corning), the buffer (20 mM Tris-HCl pH 8.0, 150 mM NaCl, 20% Glycerol, 0.5 mM TCEP, 0.01% Tween 20) is added&#...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)