Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50303749'   

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))	BDBM50303749 (2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3...) Show SMILES CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:13| Show InChI InChI=1S/C24H24N4O3/c1-4-31-21-14-19(10-11-20(21)30-3)24(22(29)28(2)23(25)27-24)18-9-5-7-16(13-18)17-8-6-12-26-15-17/h5-15H,4H2,1-3H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human BACE1 by FRET based peptide cleavage assay				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303749 (2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3...) Show SMILES CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:13| Show InChI InChI=1S/C24H24N4O3/c1-4-31-21-14-19(10-11-20(21)30-3)24(22(29)28(2)23(25)27-24)18-9-5-7-16(13-18)17-8-6-12-26-15-17/h5-15H,4H2,1-3H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human BACE1				Eur J Med Chem 46: 58-64 (2010) Article DOI: 10.1016/j.ejmech.2010.10.014 BindingDB Entry DOI: 10.7270/Q2P55PRK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50303749 (2-amino-4-(3-ethoxy-4-methoxyphenyl)-1-methyl-4-(3...) Show SMILES CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:13| Show InChI InChI=1S/C24H24N4O3/c1-4-31-21-14-19(10-11-20(21)30-3)24(22(29)28(2)23(25)27-24)18-9-5-7-16(13-18)17-8-6-12-26-15-17/h5-15H,4H2,1-3H3,(H2,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	520	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in CHOK1 cells coexpressing human recombinant wild type APP assessed as blockade of amyloid beta production by ELISA				J Med Chem 53: 1146-58 (2010) Article DOI: 10.1021/jm901414e BindingDB Entry DOI: 10.7270/Q2SX6DBS
					More data for this Ligand-Target Pair