BDBM23260 1-{[({[2-(4-methoxyphenyl)ethyl]carbamoyl}methyl)({[(2-phenylcyclopropyl)carbamoyl]methyl})carbamoyl]methyl}-N-[(1S,2S)-2-[(1-{[({[2-(4-methoxyphenyl)ethyl]carbamoyl}methyl)({[(2-phenylcyclopropyl)carbamoyl]methyl})carbamoyl]methyl}-1H-indole-2-)amido]cyclohexyl]-1H-indole-2-carboxamide::HD4-A2B7

SMILES COc1ccc(CCNC(=O)CN(CC(=O)NC2CC2c2ccccc2)C(=O)Cn2c(cc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2CC(=O)N(CC(=O)NCCc2ccc(OC)cc2)CC(=O)NC2CC2c2ccccc2)cc1

InChI Key InChIKey=YTEIZMXKEXGRIQ-CHPIPRIRSA-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 = 23260   

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

LigandPNGBDBM23260(1-{[({[2-(4-methoxyphenyl)ethyl]carbamoyl}methyl)(...)
Affinity DataIC50:  7.60E+3nMpH: 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