Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM34558'   

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))	BDBM34558 (US8546380, 498 | US8633188, 498) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C#N)c1 |c:6| Show InChI InChI=1S/C10H7N3OS3/c15-9-13-12-8(14-9)5-16-10-11-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM34558 (US8546380, 498 | US8633188, 498) Show SMILES CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C#N)c1 |c:6| Show InChI InChI=1S/C10H7N3OS3/c15-9-13-12-8(14-9)5-16-10-11-6-3-1-2-4-7(6)17-10/h1-4H,5H2,(H,13,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair