Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Microtubule-associated protein tau' and Ligand = 'BDBM50521365'   

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
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50521365 (CHEMBL4543631) Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.CN(C)C1C=CC2Nc3ccc(cc3SC2=C1)N(C)C |c:12,25| Show InChI InChI=1S/C16H21N3S.2CH4O3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2*1-5(2,3)4/h5-11,13,17H,1-4H3;2*1H3,(H,2,3,4)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jining Medical University Curated by ChEMBL					Assay Description Inhibition of tau aggregation (unknown origin) assessed as inhibitory constant				Eur J Med Chem 169: 200-223 (2019) Article DOI: 10.1016/j.ejmech.2019.02.076 BindingDB Entry DOI: 10.7270/Q2MS3X47
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50521365 (CHEMBL4543631) Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.CN(C)C1C=CC2Nc3ccc(cc3SC2=C1)N(C)C |c:12,25| Show InChI InChI=1S/C16H21N3S.2CH4O3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;2*1-5(2,3)4/h5-11,13,17H,1-4H3;2*1H3,(H,2,3,4)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Jining Medical University Curated by ChEMBL					Assay Description Inhibition of tau aggregation (unknown origin)				Eur J Med Chem 169: 200-223 (2019) Article DOI: 10.1016/j.ejmech.2019.02.076 BindingDB Entry DOI: 10.7270/Q2MS3X47
					More data for this Ligand-Target Pair