BDBM50522686 CHEMBL4564973

SMILES c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5

InChI Key InChIKey=ZJSNZHATZAWKIQ-UHFFFAOYSA-N

Data  6 IC50  4 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 10 hits for monomerid = 50522686   

TargetTyrosine-protein kinase BTK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataIC50: 1nMAssay Description:Reversible inhibition of recombinant full-length N-terminal 6-His-tagged human BTK expressed in baculovirus infected Sf21 insect cells using fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ITK/TSK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataKd:  5nMAssay Description:Binding affinity to wild-type human partial length ITK (R335 to L620 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataKd:  90nMAssay Description:Binding affinity to wild-type human full length BMX non-receptor tyrosine kinase (M1 to H675 residues) expressed in bacterial expression system by Ki...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase BTK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataIC50: 240nMAssay Description:Inhibition of BTK in human PBMC assessed as reduction in CD69 expressionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase Tec(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataKd:  420nMAssay Description:Binding affinity to wild-type human partial length TEC (L341 to D620 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase TXK(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataKd:  530nMAssay Description:Binding affinity to wild-type human partial length TXK tyrosine kinase (L238 to W527 residues) expressed in bacterial expression system by Kinomescan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50522686(CHEMBL4564973)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed