Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type B' and Ligand = 'BDBM50360393'   

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 B (Clostridium botulinum)	BDBM50360393 (CHEMBL1933882) Show SMILES N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H11N3S2/c19-11-12(18-20-14-4-1-2-5-15(14)21-18)10-13-7-8-17(23-13)16-6-3-9-22-16/h1-10H,(H,20,21)/b12-10+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Microbiotix, Inc. Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/B light chain after 40 mins by FRET-based assay				Bioorg Med Chem 19: 7338-48 (2011) Article DOI: 10.1016/j.bmc.2011.10.062 BindingDB Entry DOI: 10.7270/Q2FF3SS3
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