BDBM50086681 CHEMBL3426309

SMILES C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F

InChI Key InChIKey=JNRFIKALOWSUBG-UHFFFAOYSA-N

Data  2 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086681   

TargetTyrosine-protein kinase ITK/TSK(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
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase ITK/TSK(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
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase Lck(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50086681(CHEMBL3426309)
Affinity DataKi:  460nMAssay 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