Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-synuclein' and Ligand = 'BDBM50389294'   

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))	BDBM50389294 (CHEMBL2063787) Show SMILES COc1ccc2Nc3ccc(cc3Sc2c1)[N+]([O-])=O Show InChI InChI=1S/C13H10N2O3S/c1-18-9-3-5-11-13(7-9)19-12-6-8(15(16)17)2-4-10(12)14-11/h2-7,14H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389294 (CHEMBL2063787) Show SMILES COc1ccc2Nc3ccc(cc3Sc2c1)[N+]([O-])=O Show InChI InChI=1S/C13H10N2O3S/c1-18-9-3-5-11-13(7-9)19-12-6-8(15(16)17)2-4-10(12)14-11/h2-7,14H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human alpha-synuclein expressed in Escherichia coli BL21 (DE3) cells after 1 hr by thioflavin T fluorescence assay				Bioorg Med Chem 20: 4625-34 (2012) Article DOI: 10.1016/j.bmc.2012.06.023 BindingDB Entry DOI: 10.7270/Q25B03J1
					More data for this Ligand-Target Pair
Alpha-synuclein (Homo sapiens (Human))	BDBM50389294 (CHEMBL2063787) Show SMILES COc1ccc2Nc3ccc(cc3Sc2c1)[N+]([O-])=O Show InChI InChI=1S/C13H10N2O3S/c1-18-9-3-5-11-13(7-9)19-12-6-8(15(16)17)2-4-10(12)14-11/h2-7,14H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant human alpha-syn aggregates assessed as dissociation constant by SPR analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113887 BindingDB Entry DOI: 10.7270/Q2FX7FBG
					More data for this Ligand-Target Pair