BDBM23262 BDIS-A4B11C7::methyl 10-({6-[(4-{[(tert-butoxy)carbonyl]amino}thiophene-2-)amido]-1,3-benzoxazol-2-yl}carbonyl)-5,10-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7-tetraene-4-carboxylate

SMILES COC(=O)c1cc2c3CCN(C(=O)c4nc5ccc(NC(=O)c6cc(NC(=O)OC(C)(C)C)cs6)cc5o4)c3ccc2[nH]1

InChI Key InChIKey=YPLQZIMZZUUUAE-UHFFFAOYSA-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 = 23262   

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

LigandPNGBDBM23262(BDIS-A4B11C7 | methyl 10-({6-[(4-{[(tert-butoxy)ca...)
Affinity DataIC50:  4.62E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed