Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50216173'   

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))	BDBM50216173 (CHEMBL230245 | N-[(1S,2R)-2-amino-1-benzyl-3-fluor...) Show SMILES CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CF Show InChI InChI=1S/C25H36FN5O3S/c1-16(2)35(33,34)31(4)24-13-19(12-23(30-24)28-15-20-10-17(20)3)25(32)29-22(21(27)14-26)11-18-8-6-5-7-9-18/h5-9,12-13,16-17,20-22H,10-11,14-15,27H2,1-4H3,(H,28,30)(H,29,32)/t17-,20+,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 by ECL assay				J Med Chem 50: 3431-3 (2007) Article DOI: 10.1021/jm070272d BindingDB Entry DOI: 10.7270/Q2BC3Z7C
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50216173 (CHEMBL230245 | N-[(1S,2R)-2-amino-1-benzyl-3-fluor...) Show SMILES CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CF Show InChI InChI=1S/C25H36FN5O3S/c1-16(2)35(33,34)31(4)24-13-19(12-23(30-24)28-15-20-10-17(20)3)25(32)29-22(21(27)14-26)11-18-8-6-5-7-9-18/h5-9,12-13,16-17,20-22H,10-11,14-15,27H2,1-4H3,(H,28,30)(H,29,32)/t17-,20+,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as effect on soluble APPbeta N-terminal fragment secretion in HEK293T cells				J Med Chem 50: 3431-3 (2007) Article DOI: 10.1021/jm070272d BindingDB Entry DOI: 10.7270/Q2BC3Z7C
					More data for this Ligand-Target Pair