BDBM50022932 CHEMBL3298371

SMILES CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C

InChI Key InChIKey=XFYUTGIEFKGWND-UHFFFAOYSA-N

Data  3 KI  2 IC50

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 5 hits for monomerid = 50022932   

TargetTyrosine-protein kinase ITK/TSK(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50022932(CHEMBL3298371)
Affinity DataIC50: 55nMAssay Description:Inhibition of ITK in human Jurkat cells assessed as reduction in PLC-gamma phosphorylation after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ITK/TSK(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50022932(CHEMBL3298371)
Affinity DataIC50: 45nMAssay Description:Inhibition of ITK in TCR stimulated human Jurkat T cells assessed as reduction of PLC-gamma phosphorylation preincubated for 30 mins followed by TCR ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ITK/TSK(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50022932(CHEMBL3298371)
Affinity DataKi:  0.700nMAssay Description:Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as substrate after 35 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase Lck(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50022932(CHEMBL3298371)
Affinity DataKi:  340nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50022932(CHEMBL3298371)
Affinity DataKi:  460nMAssay Description:Inhibition of human His-tagged full length AURKA using kemptide peptide as substrate after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2015
Entry Details Article
PubMed