BDBM50571036 CHEMBL4851951::US12415803, Example 113

SMILES Cc1nn(C(C)C)cc1-c1nc2c(-c3ccc4c(c3)CCC[C@@H]4NC(=O)c3nc(C(C)(C)C)no3)ccnc2[nH]1

InChI Key InChIKey=MJVJJAPVHAVMGV-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 = 50571036   

TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50571036BDBM50571036(CHEMBL4851951 | US12415803, Example 113)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50571036BDBM50571036(CHEMBL4851951 | US12415803, Example 113)
Affinity DataIC50: 5.5nMAssay Description:The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2025
Entry Details
US Patent

TargetTyrosine-protein kinase BTK(Human)
Emd Serono Research & Development Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50571036BDBM50571036(CHEMBL4851951 | US12415803, Example 113)
Affinity DataIC50: 62nMAssay Description:Inhibition of BTK in human PBMCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed