Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Microtubule-associated protein tau' and Ligand = 'BDBM281641'   

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))	BDBM281641 (US10022461, Compound 111) Show SMILES Nc1ccc2cnc(cc2c1F)-n1ccc2ccncc12 Show InChI InChI=1S/C16H11FN4/c17-16-12-7-15(20-8-11(12)1-2-13(16)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.09	-51.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description For displacement tau binding assay, unlabeled test compounds were dissolved in DMSO at 1 mM. Dilutions of tests compounds to various concentrations w...				US Patent US10022461 (2018) BindingDB Entry DOI: 10.7270/Q2959KK6
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