Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM100995'   

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))	BDBM100995 (US8507479, 65) Show SMILES CC#CC(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:19| Show InChI InChI=1S/C15H17N3OS/c1-3-5-13(19)17-12-7-4-6-11(10-12)15(2)8-9-20-14(16)18-15/h4,6-7,10H,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	720	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))	BDBM100995 (US8507479, 65) Show SMILES CC#CC(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:19| Show InChI InChI=1S/C15H17N3OS/c1-3-5-13(19)17-12-7-4-6-11(10-12)15(2)8-9-20-14(16)18-15/h4,6-7,10H,8-9H2,1-2H3,(H2,16,18)(H,17,19)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	720	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