BDBM668056 US20240124439, Example 40

SMILES COCCOc1nc2[nH]c(nc2cc1N(C)C(=O)[C@H](C)N1CCOCC1)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12

InChI Key InChIKey=UESUCYFFDMDANY-LFIIUPNLSA-N

Data  1 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 1 hit for monomerid = 668056   

TargetTyrosine-protein kinase ITK/TSK(Human)
Pfizer

US Patent
LigandPNGBDBM668056(US20240124439, Example 40)
Affinity DataIC50:  28nMAssay Description:1.0 M 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 st...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent