Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50220317'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50220317 (CHEMBL236850 | N-(diaminomethylene)-2-(2,4-dipheny...) Show SMILES NC(=N)NC(=O)Cc1c(csc1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H17N3OS/c20-19(21)22-17(23)11-15-16(13-7-3-1-4-8-13)12-24-18(15)14-9-5-2-6-10-14/h1-10,12H,11H2,(H4,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 17: 5353-6 (2007) Article DOI: 10.1016/j.bmcl.2007.08.010 BindingDB Entry DOI: 10.7270/Q2WQ03GF
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