BDBM23264 (3R,4R)-3-N-benzyl-1-{[4-(4-{[(3S,4S)-3-(benzylcarbamoyl)-4-{[(2S)-2-phenylcyclopropyl]carbamoyl}pyrrolidin-1-yl]carbonyl}phenyl)phenyl]carbonyl}-4-N-[(2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide::TransPyr1-A6B9C6

SMILES O=C(NCc1ccccc1)[C@H]1CN(C[C@@H]1C(=O)NC1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)NC1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1

InChI Key InChIKey=IYWVOHJYPMCYKS-RNUAKSDQSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23264   

TargetBotulinum neurotoxin type A2 [1-425](Clostridium botulinum)
The Scripps Research Institute

LigandPNGBDBM23264((3R,4R)-3-N-benzyl-1-{[4-(4-{[(3S,4S)-3-(benzylcar...)
Affinity DataIC50:  9.12E+4nMpH: 7.4 T: 2°CAssay Description:Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed