Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM2677'   

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))	BDBM2677 (US8507479, 140 | US8507479, 80 | US8541408, 80) Show SMILES CCSc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:26| Show InChI InChI=1S/C18H21N5OS2/c1-3-25-15-11-20-14(10-21-15)16(24)22-13-6-4-5-12(9-13)18(2)7-8-26-17(19)23-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,19,23)(H,22,24)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.0	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using human BACE-1.				US Patent US8541408 (2013) BindingDB Entry DOI: 10.7270/Q2KK99D8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM2677 (US8507479, 140 | US8507479, 80 | US8541408, 80) Show SMILES CCSc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:26| Show InChI InChI=1S/C18H21N5OS2/c1-3-25-15-11-20-14(10-21-15)16(24)22-13-6-4-5-12(9-13)18(2)7-8-26-17(19)23-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,19,23)(H,22,24)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Beta-Secretase inhibition assay.				US Patent US8507479 (2013) BindingDB Entry DOI: 10.7270/Q2KS6Q6G
					More data for this Ligand-Target Pair