BDBM50383525 CHEMBL2032269
SMILES: ONC(=O)\C=C\c1ccc(cc1Cl)-c1cccnc1
InChI Key: InChIKey=DMGIYTRSTHPJCI-AATRIKPKSA-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) | BDBM50383525 (CHEMBL2032269) | PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Fox Chase Chemical Diversity Center Curated by ChEMBL | Assay Description Inhibition of clostridium botulinum Botulinum neurotoxin type A using SNAPide as substrate by FRET analysis | Bioorg Med Chem Lett 22: 3754-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.019 BindingDB Entry DOI: 10.7270/Q21C1XWX | |||||||||||
More data for this Ligand-Target Pair |