Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM136546'   

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))	BDBM136546 (US8865701, 10) Show SMILES COC(C)(C)C1CCCCN1C(=O)[C@@H]1CNC[C@@]11CCCc2ccccc12 |r| Show InChI InChI=1S/C23H34N2O2/c1-22(2,27-3)20-12-6-7-14-25(20)21(26)19-15-24-16-23(19)13-8-10-17-9-4-5-11-18(17)23/h4-5,9,11,19-20,24H,6-8,10,12-16H2,1-3H3/t19-,20?,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	6.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous end point electrochemiluminescence (ECL) assay is performed using a biotinylated BACE substrate. The Km of the substrate is approximate...				US Patent US8865701 (2014) BindingDB Entry DOI: 10.7270/Q2KP80V1
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