Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50310156'   

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))	BDBM50310156 (CHEMBL598257 | rac-2-amino-1-methyl-4-(2-methylpyr...) Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccnc(C)c1 |c:3| Show InChI InChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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))	BDBM50310156 (CHEMBL598257 | rac-2-amino-1-methyl-4-(2-methylpyr...) Show SMILES CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccnc(C)c1 |c:3| Show InChI InChI=1S/C21H19N5O/c1-14-11-18(8-10-24-14)21(19(27)26(2)20(22)25-21)17-7-3-5-15(12-17)16-6-4-9-23-13-16/h3-13H,1-2H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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 assay				Bioorg Med Chem 18: 630-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.007 BindingDB Entry DOI: 10.7270/Q2DV1KT4
					More data for this Ligand-Target Pair