Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM36405'   

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))	BDBM36405 (US8546380, 284 | US8633188, 284) Show SMILES COCc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:27| Show InChI InChI=1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	US Patent	n/a	n/a	229	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))	BDBM36405 (US8546380, 284 | US8633188, 284) Show SMILES COCc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:27| Show InChI InChI=1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	US Patent	n/a	n/a	229	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