BDBM50646096 CHEMBL5590893

SMILES COC(=O)c1cnc(S(C)(=O)=O)nc1N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

InChI Key

  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 8 hits for monomerid = 50646096   

TargetTyrosine-protein kinase BTK(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50646096(CHEMBL5590893)
Affinity DataIC50: 6.30nMAssay Description:Covalent inhibition of full length N-terminal GST tagged BTK (2 to 659 residues) (unknown origin) using AQT0101 as substrate preincubated for 60 mins...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50646096(CHEMBL5590893)
Affinity DataKi:  24nMAssay Description:Binding affinity to full length N-terminal GST tagged BTK (2 to 659 residues) (unknown origin) assessed as inhibition constant using AQT0101 as subst...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50646096(CHEMBL5590893)
Affinity DataIC50: 38nMAssay Description:Inhibition of NanoLuc fused BTK (unknown origin) transiently transfected in HEK293 cells incubated for 1 hr by NanoBRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50646096(CHEMBL5590893)
Affinity DataIC50: 57nMAssay Description:Covalent inhibition of full-length BTK (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1 hr in presence of ATP by ADP-Glo kin...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50646096(CHEMBL5590893)
Affinity DataIC50: 79nMAssay Description:Covalent inhibition of full length N-terminal GST tagged BTK (2 to 659 residues) (unknown origin) using AQT0101 as substrate without preincubation in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK3(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50646096(CHEMBL5590893)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of N-terminal His-tagged JAK3 cytoplasmic domain (795 to 1124 residues) (unknown origin) using AQT0734 as substrate in presence of ATP by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase ITK/TSK(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50646096(CHEMBL5590893)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of full-length GST tagged ITK (unknown origin) using AQT0734 as substrate in presence of ATP by microplate reader analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
University of Southampton

Curated by ChEMBL
LigandPNGBDBM50646096(CHEMBL5590893)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of N-terminal GST tagged EGFR cytoplasmic domain (669 to 1210 residues) (unknown origin) using AQT0734 as substrate in presence of ATP by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed