Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-synuclein' and Ligand = 'BDBM170549'   

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
Alpha-synuclein (Homo sapiens (Human))	BDBM170549 (US9085549, 53) Show SMILES Oc1ccc(NC(=O)c2cc(O)c(O)cc2Br)cc1O Show InChI InChI=1S/C13H10BrNO5/c14-8-5-12(19)11(18)4-7(8)13(20)15-6-1-2-9(16)10(17)3-6/h1-5,16-19H,(H,15,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	813	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
PROTEOTECH INC US Patent					Assay Description The compounds prepared in the preceding examples were found to bind with high affinity to α-synuclein aggregates/fibrils that are found in the h...				US Patent US9085549 (2015) BindingDB Entry DOI: 10.7270/Q2WD3Z9K
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