BDBM50086681 CHEMBL3426309

SMILES [H][C@]12Cc3c(C[C@@]1(C)C2(F)F)[nH]nc3C(=O)Nc1cnn(c1)[C@H](c1ccccc1)[C@@]1([H])CCCCS1(=O)=O

InChI Key

Data  2 KI  1 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 3 hits for monomerid = 50086681   

TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50086681(CHEMBL3426309)
Affinity DataKi:  0.0900nMAssay Description:Inhibition of GST-tagged recombinant full length human ITK using AcEFPIYDFLPAKKK-NH2 as substrate after 35 mins by Morrison plot analysisMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50086681(CHEMBL3426309)
Affinity DataKi:  460nMAssay Description:Inhibition of LCK (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50086681(CHEMBL3426309)
Affinity DataIC50:  4nMAssay 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