BDBM50055956 CHEMBL3330753

SMILES: COc1ccc(cc1)-c1cc2n(c3cc(sc3c2s1)-c1ccc(\C=C(/C#N)C(N)=O)s1)C(C)(C)C

InChI Key: InChIKey=UQOZNVGULYNSJW-LFIBNONCSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50055956   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tau (Homo sapiens (Human))	BDBM50055956 (CHEMBL3330753) Show SMILES COc1ccc(cc1)-c1cc2n(c3cc(sc3c2s1)-c1ccc(\C=C(/C#N)C(N)=O)s1)C(C)(C)C Show InChI InChI=1S/C27H23N3O2S3/c1-27(2,3)30-19-12-22(15-5-7-17(32-4)8-6-15)34-24(19)25-20(30)13-23(35-25)21-10-9-18(33-21)11-16(14-28)26(29)31/h5-13H,1-4H3,(H2,29,31)/b16-11+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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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