Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM16738'   

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))	BDBM16738 (Coumarin Compound, 9a | N-[5-bromo-2-(morpholin-4-...) Show SMILES Brc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C20H17BrN2O4/c21-14-5-6-17(23-7-9-26-10-8-23)16(12-14)22-19(24)15-11-13-3-1-2-4-18(13)27-20(15)25/h1-6,11-12H,7-10H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Applied Science University Curated by ChEMBL					Assay Description Inhibition of BACE1 after 2 hrs by FRET assay				Bioorg Med Chem 18: 3088-115 (2010) Article DOI: 10.1016/j.bmc.2010.03.043 BindingDB Entry DOI: 10.7270/Q2ZG6SFR
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16738 (Coumarin Compound, 9a | N-[5-bromo-2-(morpholin-4-...) Show SMILES Brc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C20H17BrN2O4/c21-14-5-6-17(23-7-9-26-10-8-23)16(12-14)22-19(24)15-11-13-3-1-2-4-18(13)27-20(15)25/h1-6,11-12H,7-10H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite de la Mediterranee					Assay Description These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...				J Med Chem 49: 4275-85 (2006) Article DOI: 10.1021/jm0602864 BindingDB Entry DOI: 10.7270/Q2QN651G
					More data for this Ligand-Target Pair