Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type A' and Ligand = 'BDBM60953'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM60953 (BDBM50139371 | benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.90E+3	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) Article DOI: 10.1016/j.bmcl.2016.11.019 BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair