BDBM50234272 CHEMBL4084638
SMILES: Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccccc1F
InChI Key: InChIKey=MYFKWIIFDNBPGC-UHFFFAOYSA-N
Data: 1 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) | BDBM50234272 (CHEMBL4084638) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL | Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ... | Bioorg Med Chem Lett 27: 675-678 (2017) BindingDB Entry DOI: 10.7270/Q2NP26PM | |||||||||||
More data for this Ligand-Target Pair |