Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM256736'   

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))	BDBM256736 (US9489013, 7) Show SMILES CC(C)CC(=O)N1CCC2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C25H30F2N6O4S/c1-15(2)11-21(34)33-10-9-25(14-33)24(3,31-23(28)32(4)38(25,36)37)18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20/h5-8,12-13,15H,9-11,14H2,1-4H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.80	-49.6	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
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