Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM258997'   

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))	BDBM258997 (US9499502, 9cs-a) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r| Show InChI InChI=1S/C24H28ClFN4O4S/c1-23(14-35(32,33)24(2,22(27)30-23)12-15-7-9-34-10-8-15)18-11-17(4-5-19(18)26)29-21(31)20-6-3-16(25)13-28-20/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H2,27,30)(H,29,31)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	-51.0	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
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