BDBM50583946 CHEMBL5076817

SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1

InChI Key InChIKey=LJSVDEOHWCABIZ-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 = 50583946   

TargetTyrosine-protein kinase BTK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50583946(CHEMBL5076817)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50583946(CHEMBL5076817)
Affinity DataIC50: 21nMAssay Description:Inhibition of BTK phosphorylation in human whole blood assessed as reduction in BTK phosphorylation incubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetEarly activation antigen CD69(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50583946(CHEMBL5076817)
Affinity DataIC50: 59nMAssay Description:Inhibition of CD69 in human whole blood preincubated for 30 mins followed by anti-human IgD stimulation and measured after 18 to 22 hrs by flow cytom...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50583946(CHEMBL5076817)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50583946(CHEMBL5076817)
Affinity DataIC50: 400nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed