Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Microtubule-associated protein tau' and Ligand = 'BDBM281627'   

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))	BDBM281627 (US10022461, Compound 94) Show SMILES CCNc1cc(ccn1)-c1ccc(nc1)-n1ccc2ccncc12 Show InChI InChI=1S/C19H17N5/c1-2-21-18-11-15(6-9-22-18)16-3-4-19(23-12-16)24-10-7-14-5-8-20-13-17(14)24/h3-13H,2H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	-50.5	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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