Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50303726'   

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))	BDBM50303726 (2-amino-4-(benzo[d][1,3]dioxol-5-yl)-1-methyl-4-(3...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C22H18N4O3/c1-26-20(27)22(25-21(26)23,17-7-8-18-19(11-17)29-13-28-18)16-6-2-4-14(10-16)15-5-3-9-24-12-15/h2-12H,13H2,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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))	BDBM50303726 (2-amino-4-(benzo[d][1,3]dioxol-5-yl)-1-methyl-4-(3...) Show SMILES CN1C(N)=NC(C1=O)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1 |c:3| Show InChI InChI=1S/C22H18N4O3/c1-26-20(27)22(25-21(26)23,17-7-8-18-19(11-17)29-13-28-18)16-6-2-4-14(10-16)15-5-3-9-24-12-15/h2-12H,13H2,1H3,(H2,23,25)	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	680	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