BDBM23289 (2E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide::hydroxamate derivative, 5f
SMILES: Cc1cc(Cl)ccc1\C=C\C(=O)NO
InChI Key: InChIKey=UWFUNUDRGMZSCC-HWKANZROSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Botulinum neurotoxin type A (Clostridium botulinum) | BDBM23289 ((2E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-e...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of Clostridium botulinum BoNT/A | Bioorg Med Chem Lett 20: 206-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.129 BindingDB Entry DOI: 10.7270/Q2H41RJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Botulinum Neurotoxin Type A (Clostridium botulinum) | BDBM23289 ((2E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-e...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | 7.4 | 23 |
The Scripps Research Institute | Assay 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... | Bioorg Med Chem Lett 17: 6463-6 (2007) Article DOI: 10.1016/j.bmcl.2007.09.103 BindingDB Entry DOI: 10.7270/Q20G3HFM | |||||||||||
More data for this Ligand-Target Pair |