Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50303744'   

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))	BDBM50303744 (2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...) Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:17| Show InChI InChI=1S/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM50303744 (2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...) Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:17| Show InChI InChI=1S/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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))	BDBM50303744 (2-amino-4-(3-(cyclopentyloxy)-4-methoxyphenyl)-1-m...) Show SMILES COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:17| Show InChI InChI=1S/C27H28N4O3/c1-31-25(32)27(30-26(31)28,20-9-5-7-18(15-20)19-8-6-14-29-17-19)21-12-13-23(33-2)24(16-21)34-22-10-3-4-11-22/h5-9,12-17,22H,3-4,10-11H2,1-2H3,(H2,28,30)	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	670	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