Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50226449'   

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))	BDBM50226449 (2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O Show InChI InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human BACE1 (43-454 amino acids) expressed in Escherichia coli BL21 using SEVNLDAEFRHDSGYEK-biotinafter 3 hrs by ELISA				J Med Chem 55: 8838-58 (2012) Article DOI: 10.1021/jm3011405 BindingDB Entry DOI: 10.7270/Q2W66MXK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226449 (2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O Show InChI InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226449 (2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O Show InChI InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by HTRF assay				J Med Chem 55: 8838-58 (2012) Article DOI: 10.1021/jm3011405 BindingDB Entry DOI: 10.7270/Q2W66MXK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50226449 (2-amino-6-[2-(1,1'-biphenyl-3-yl)ethyl]-3-methylpy...) Show SMILES Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O Show InChI InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of BACE1 by IGEN assay				J Med Chem 50: 5912-25 (2007) Article DOI: 10.1021/jm070829p BindingDB Entry DOI: 10.7270/Q2B27V0D
					More data for this Ligand-Target Pair