BDBM50588042 CHEMBL5205957

SMILES O=C(N[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1)[C@H](Nc1cc(F)cc(Cl)c1)C1CC1

InChI Key InChIKey=OETOLISJTPMUFM-UHFFFAOYSA-N

Data  1 IC50  5 Kd

PDB links: 1 PDB ID matches this monomer.

  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 6 hits for monomerid = 50588042   

TargetTyrosine-protein kinase BTK(Human)
Biogen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588042BDBM50588042(CHEMBL5205957)
Affinity DataKd:  3nMAssay Description:Binding affinity to human full length BTK C481S mutation (M1 to S659 residues ) expressed in mammalian expression system assessed dissociation consta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Biogen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588042BDBM50588042(CHEMBL5205957)
Affinity DataIC50: 10nMAssay Description:Inhibition of BTK (unknown origin) incubated 30 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ITK/TSK(Human)
Biogen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588042BDBM50588042(CHEMBL5205957)
Affinity DataKd:  20nMAssay Description:Binding affinity to human partial length ITK (R335 to L620 residues ) expressed in bacterial expression system assessed dissociation constant by Kino...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetTyrosine-protein kinase Tec(Human)
Biogen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588042BDBM50588042(CHEMBL5205957)
Affinity DataKd:  30nMAssay Description:Binding affinity to human partial length TEC (L341 to D620 residues ) expressed in bacterial expression system assessed dissociation constant by Kino...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetTyrosine-protein kinase TXK(Human)
Biogen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588042BDBM50588042(CHEMBL5205957)
Affinity DataKd:  850nMAssay Description:Binding affinity to human partial length TXK (L238 to W527 residues ) expressed in bacterial expression system assessed dissociation constant by Kino...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Human)
Biogen

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50588042BDBM50588042(CHEMBL5205957)
Affinity DataKd:  3.50E+3nMAssay Description:Binding affinity to human full length BMX (M1 to H675 residues ) expressed in bacterial expression system assessed dissociation constant by Kinomesca...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed