BDBM506829 US11046652, Example 3-2

SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1C)c1ccnn1C1CC1

InChI Key InChIKey=UMICZHKPPOJRHP-SJLPKXTDSA-N

Data  1 KI

  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 = 506829   

TargetBotulinum neurotoxin type A [1-429](Clostridium botulinum (strain Hall / ATCC 3502 / N...)
Hawaii Biotech

US Patent
LigandPNGBDBM506829(US11046652, Example 3-2)
Affinity DataKi:  5.40nMAssay Description:In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent