BDBM50587592 CHEMBL5090091::US11661419, Example 7::US20230280220, Example 7

SMILES [H][C@@]12C[C@]1(C)Cc1[nH]nc(-c3nc4cc(ccc4[nH]3)N(C)C(=O)[C@H](C)C3CCOCC3)c1C2

InChI Key InChIKey=NSAGKILQOATIPV-JKVXYJNCSA-N

Data  4 IC50

  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 4 hits for monomerid = 50587592   

TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50587592(CHEMBL5090091 | US11661419, Example 7 | US20230280...)
Affinity DataIC50:  2nMAssay Description:Inhibition of ITK (unknown origin) using BTK peptide as substrate preincubated for 30 mins followed by addition of substrate and measured after 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50587592(CHEMBL5090091 | US11661419, Example 7 | US20230280...)
Affinity DataIC50:  2nMAssay Description:1.0M HEPES Buffer pH 7.5 solution was prepared as follows: 238.3 g HEPES free acid (Sigma) and 800 mL of water were combined, and the mixture was sti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50587592(CHEMBL5090091 | US11661419, Example 7 | US20230280...)
Affinity DataIC50:  2nMAssay Description:ITK activity was determined by measuring the effect of a test compound in an ITK enzyme assay. 1.0 M HEPES Buffer pH 7.5 solution was prepared as fol...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetInterleukin-2(Homo sapiens (Human))
Therachem Research Medilab

Curated by ChEMBL
LigandPNGBDBM50587592(CHEMBL5090091 | US11661419, Example 7 | US20230280...)
Affinity DataIC50:  13nMAssay Description:Inhibition of IL-2 in CD3/CD28 activated human CD4+ve Th cells preincubated for 15 mins followed by addition of immuno-cult and measured after 24 hrs...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed