Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Botulinum neurotoxin type A [1-429]' and Ligand = 'BDBM506820'   

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 [1-429] (Clostridium botulinum (strain Hall / ATCC 3502 / N...)	BDBM506820 (US11046652, Example 1-14) Show SMILES CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccnn1CCCCNCc1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In a 96 well, clear bottom black plate, the following was added to each well: 5 nM BoNT/A LC1-429, 28 μM substrate in 30 mM HEPES pH 7.3, 0.05 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ35TK
					More data for this Ligand-Target Pair