BDBM668046 US20240124439, Example 30

SMILES CCN(C(=O)[C@H](C)N1CCOCC1)c1cnc2[nH]c(nc2c1)-c1n[nH]c2C[C@]3(C)[C@H](Cc12)C3(F)F

InChI Key InChIKey=DDIRSAAXOKCCHD-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 668046   

TargetTyrosine-protein kinase ITK/TSK(Human)
Pfizer

US Patent
LigandPNGBDBM668046(US20240124439, Example 30)
Affinity DataIC50: 8nMAssay 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
In Depth
Date in BDB:
7/9/2024
Entry Details
US Patent