Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50303757'   

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))	BDBM50303757 (2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methy...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |c:3| Show InChI InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	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))	BDBM50303757 (2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methy...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |c:3| Show InChI InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	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))	BDBM50303757 (2-amino-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methy...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |c:3| Show InChI InChI=1S/C22H16F4N4O2/c1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2-12H,1H3,(H2,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	370	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