BDBM775049 US20250304585, Compound 3a

SMILES Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCl)C1

InChI Key InChIKey=BCYQQNGYLQGVGY-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 775049   

TargetTyrosine-protein kinase BTK(Human)
HUN-REN Research Centre for Natural Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 775049BDBM775049(US20250304585, Compound 3a)
Affinity DataIC50: 11nMAssay Description:Binding affinity to N-terminal 6His-tagged human BTK (387 to 659 residues) extracted from Trichoplusia ni cell incubated for 2 hrs by LC/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
HUN-REN Research Centre for Natural Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 775049BDBM775049(US20250304585, Compound 3a)
Affinity DataIC50: 29nMAssay Description:Kinase reactions are assembled in 384-well plates (Greiner) in a total volume of 20 μL. Test compounds (3a-3g) were diluted in DMSO to a final concen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
1/19/2026
Entry Details
US Patent

TargetEpidermal growth factor receptor(Human)
Yeda Research and Development

US Patent
LigandChemical structure of BindingDB Monomer ID 775049BDBM775049(US20250304585, Compound 3a)
Affinity DataIC50: 261nMAssay Description:Kinase reactions are assembled in 384-well plates (Greiner) in a total volume of 20 μL. Test compounds (3a-3g) were diluted in DMSO to a final concen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
1/19/2026
Entry Details
US Patent

TargetTyrosine-protein kinase BTK [C481S](Human)
Yeda Research and Development

US Patent
LigandChemical structure of BindingDB Monomer ID 775049BDBM775049(US20250304585, Compound 3a)
Affinity DataIC50: 795nMAssay Description:Kinase reactions are assembled in 384-well plates (Greiner) in a total volume of 20 μL. Test compounds (3a-3g) were diluted in DMSO to a final concen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
1/19/2026
Entry Details
US Patent