Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50258278'   

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))	BDBM50258278 (4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1 Show InChI InChI=1S/C19H20N4O4/c1-26-15-6-3-12(4-7-15)16(17-11-21-19(20)22-17)10-13-9-14(23(24)25)5-8-18(13)27-2/h3-9,11,16H,10H2,1-2H3,(H3,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	6.5	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) at pH 6.5				Bioorg Med Chem Lett 19: 2977-80 (2009) Article DOI: 10.1016/j.bmcl.2009.04.033 BindingDB Entry DOI: 10.7270/Q2XS5V96
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50258278 (4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1 Show InChI InChI=1S/C19H20N4O4/c1-26-15-6-3-12(4-7-15)16(17-11-21-19(20)22-17)10-13-9-14(23(24)25)5-8-18(13)27-2/h3-9,11,16H,10H2,1-2H3,(H3,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	4.5	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) at pH 4.5				Bioorg Med Chem Lett 19: 2977-80 (2009) Article DOI: 10.1016/j.bmcl.2009.04.033 BindingDB Entry DOI: 10.7270/Q2XS5V96
					More data for this Ligand-Target Pair