BDBM50557487 Tolebrutinib

SMILES Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C=C)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12

InChI Key InChIKey=KOEUOFPEZFUWRF-UHFFFAOYSA-N

Data  7 IC50  1 Kd

  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 8 hits for monomerid = 50557487   

TargetTyrosine-protein kinase BTK(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50557487(Tolebrutinib)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of human BTK in human microglia cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50557487(Tolebrutinib)
Affinity DataIC50: 1nMAssay 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 DepthDetails Article
PubMed
TargetEarly activation antigen CD69(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50557487(Tolebrutinib)
Affinity DataIC50: 200nMAssay 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 DepthDetails Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50557487(Tolebrutinib)
Affinity DataKd:  1.40nMAssay Description:Binding affinity to wild-type human full length BTK (M1 to S659 residues) expressed in mammalian expression system by Kinomescan methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50557487(Tolebrutinib)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetTyrosine-protein kinase BTK(Human)
Roche Innovation Center Shanghai

Curated by ChEMBL
LigandPNGBDBM50557487(Tolebrutinib)
Affinity DataIC50: 6.20nMAssay Description:Inhibition of BTK phosphorylation at Tyr 223 residue in human Ramos cell incubated for 3 hrs by HTRF-based analysisMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetEpidermal growth factor receptor(Human)
Beigene (Beijing) Co.

Curated by ChEMBL
LigandPNGBDBM50557487(Tolebrutinib)
Affinity DataIC50: 74nMAssay Description:Inhibition of EGFR autophosphorylation at Tyr1068 residue in EGFR-amplified human A-431 cells preincubated with compound for 1 hrs followed by stimul...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetTyrosine-protein kinase Tec(Human)
Beigene (Beijing) Co.

Curated by ChEMBL
LigandPNGBDBM50557487(Tolebrutinib)
Affinity DataIC50: 7.80nMAssay Description:Inhibition of FLAG-tagged TEC autophosphorylation in HEK293 cells incubated for 2 hrs by MSD electrochemiluminescence immunoassayMore data for this Ligand-Target Pair
In DepthDetails
PubMed