BDBM50443181 CHEMBL3086535

SMILES CN(C)Cc1ccc(cc1)C1CC1C(=O)Nc1nc2ccc(cc2s1)-c1cn[nH]c1

InChI Key InChIKey=WIUYFJQWJMBTCE-UHFFFAOYSA-N

Data  1 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 2 hits for monomerid = 50443181   

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

Curated by ChEMBL
LigandPNGBDBM50443181(CHEMBL3086535)
Affinity DataKi:  0.600nMAssay Description:Inhibition of full length GST-tagged ITK (unknown origin) using Ac-EFPIYDFLPAKKK-NH2 as substrate after 35 mins by LC/MS analysisMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Evotec (Uk)

Curated by ChEMBL
LigandPNGBDBM50443181(CHEMBL3086535)
Affinity DataIC50:  89nMAssay Description:Inhibition of ITK in human Jurkat cells assessed as inhibition of PLC-gamma1 phosphorylation by immuno-detection assayMore data for this Ligand-Target Pair