BDBM23261 1-{[({[2-(3-methoxyphenyl)ethyl]carbamoyl}methyl)[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)methyl]carbamoyl]methyl}-N-[(1S,2S)-2-[(1-{[({[2-(3-methoxyphenyl)ethyl]carbamoyl}methyl)[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)methyl]carbamoyl]methyl}-1H-indole-2-)amido]cyclohexyl]-1H-indole-2-carboxamide::HD4-A4B2

SMILES COc1cccc(CCNC(=O)CN(CC(=O)NC2CCCc3ccccc23)C(=O)Cn2c(cc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2CC(=O)N(CC(=O)NCCc2cccc(OC)c2)CC(=O)NC2CCCc3ccccc23)c1

InChI Key InChIKey=RTRSXUBINBYSBH-HIOJUVKOSA-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 = 23261   

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

LigandPNGBDBM23261(1-{[({[2-(3-methoxyphenyl)ethyl]carbamoyl}methyl)[...)
Affinity DataIC50:  1.91E+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