Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type A' and Ligand = 'BDBM50383557'   

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)	BDBM50383557 (CHEMBL2032388) Show SMILES ONC(=O)\C=C\c1ccc(cc1Cl)-c1cncnc1 Show InChI InChI=1S/C13H10ClN3O2/c14-12-5-10(11-6-15-8-16-7-11)2-1-9(12)3-4-13(18)17-19/h1-8,19H,(H,17,18)/b4-3+	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	2.79E+3	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
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