Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type A' and Ligand = 'BDBM23289'   

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)	BDBM23289 ((2E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-e...) Show SMILES Cc1cc(Cl)ccc1\C=C\C(=O)NO Show InChI InChI=1S/C10H10ClNO2/c1-7-6-9(11)4-2-8(7)3-5-10(13)12-14/h2-6,14H,1H3,(H,12,13)/b5-3+	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A				Bioorg Med Chem Lett 20: 206-8 (2010) Article DOI: 10.1016/j.bmcl.2009.10.129 BindingDB Entry DOI: 10.7270/Q2H41RJ9
					More data for this Ligand-Target Pair