Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Microtubule-associated protein tau' and Ligand = 'BDBM50055949'   

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))	BDBM50055949 (CHEMBL3330745) Show SMILES NC(=O)C(=C\c1ccc(s1)-c1ccc(-c2ccc(cc2)N(c2ccccc2)c2ccccc2)c2nsnc12)\C#N Show InChI InChI=1S/C32H21N5OS2/c33-20-22(32(34)38)19-26-15-18-29(39-26)28-17-16-27(30-31(28)36-40-35-30)21-11-13-25(14-12-21)37(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H,(H2,34,38)/b22-19+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Institute of Technology Curated by ChEMBL					Assay Description Inhibition of His-tagged human brain tau 3R MBD aggregation after 16 hrs by thioflavin T fluorescence method				Eur J Med Chem 85: 228-34 (2014) Article DOI: 10.1016/j.ejmech.2014.07.095 BindingDB Entry DOI: 10.7270/Q2RJ4M4Q
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