Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM259064'   

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))	BDBM259064 (US9499502, 9ed-a | US9499502, 9ed-b) Show SMILES C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C24H20F5N5O3S/c1-22(16-10-15(4-5-17(16)26)33-20(35)18-6-3-14(25)11-32-18)12-38(36,37)23(2,21(30)34-22)19-9-13(7-8-31-19)24(27,28)29/h3-11H,12H2,1-2H3,(H2,30,34)(H,33,35)/t22-,23-/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
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM259064 (US9499502, 9ed-a | US9499502, 9ed-b) Show SMILES C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C24H20F5N5O3S/c1-22(16-10-15(4-5-17(16)26)33-20(35)18-6-3-14(25)11-32-18)12-38(36,37)23(2,21(30)34-22)19-9-13(7-8-31-19)24(27,28)29/h3-11H,12H2,1-2H3,(H2,30,34)(H,33,35)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.1	-45.4	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
					More data for this Ligand-Target Pair