Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Microtubule-associated protein tau' and Ligand = 'BDBM281571'   

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))	BDBM281571 (US10022461, Compound 21-4) Show SMILES CC#Cc1cnc(cc1CO)-n1ccc2ccncc12 Show InChI InChI=1S/C16H13N3O/c1-2-3-13-9-18-16(8-14(13)11-20)19-7-5-12-4-6-17-10-15(12)19/h4-10,20H,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	3.35	-48.4	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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