BDBM23295 (2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide::4-chlorocinnamic hydroxamate, 1
SMILES: ONC(=O)\C=C\c1ccc(Cl)cc1
InChI Key: InChIKey=YPYUWBDOEMPXSK-ZZXKWVIFSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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) | BDBM23295 ((2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide | ...) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University Curated by ChEMBL | Assay Description Inhibition of protease activity of Clostridium botulinum BoNT/A using SNAP-25 as substrate by FRET analysis | Bioorg Med Chem 24: 4875-4889 (2016) Article DOI: 10.1016/j.bmc.2016.07.031 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Botulinum Neurotoxin Type A (Clostridium botulinum) | BDBM23295 ((2E)-3-(4-chlorophenyl)-N-hydroxyprop-2-enamide | ...) | PDB MMDB KEGG B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 1.50E+4 | 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 | 3D Structure (crystal) |