BDBM23259 1-({[({[3-fluoro-5-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]({[2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl}methyl)-N-[(1S,2S)-2-{[1-({[({[3-fluoro-5-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]({[2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl}methyl)-1H-indole-2-]amido}cyclohexyl]-1H-indole-2-carboxamide::HD4-A3B5

SMILES Oc1ccc(CCNC(=O)CN(CC(=O)NCc2cc(F)cc(c2)C(F)(F)F)C(=O)Cn2c(cc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2CC(=O)N(CC(=O)NCCc2ccc(O)cc2)CC(=O)NCc2cc(F)cc(c2)C(F)(F)F)cc1

InChI Key InChIKey=WFMNDOBQCAQRGQ-PJYGOTMFSA-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 = 23259   

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

LigandPNGBDBM23259(1-({[({[3-fluoro-5-(trifluoromethyl)phenyl]methyl}...)
Affinity DataIC50:  1.43E+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