Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50398276'   

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))	BDBM50398276 (CHEMBL2177910) Show SMILES Cc1cc(cc(C)n1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:10| Show InChI InChI=1S/C25H20FN5/c1-15-9-20(10-16(2)30-15)25(21-7-4-8-22(26)23(21)24(27)31-25)19-6-3-5-17(11-19)18-12-28-14-29-13-18/h3-14H,1-2H3,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of BACE1 in human SH-SY5Y cells assessed as inhibition of sAPPbeta release after 16 hrs by immunoassay				J Med Chem 55: 9346-61 (2012) Article DOI: 10.1021/jm3009025 BindingDB Entry DOI: 10.7270/Q2WW7JTP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398276 (CHEMBL2177910) Show SMILES Cc1cc(cc(C)n1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:10| Show InChI InChI=1S/C25H20FN5/c1-15-9-20(10-16(2)30-15)25(21-7-4-8-22(26)23(21)24(27)31-25)19-6-3-5-17(11-19)18-12-28-14-29-13-18/h3-14H,1-2H3,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after ...				J Med Chem 55: 9346-61 (2012) Article DOI: 10.1021/jm3009025 BindingDB Entry DOI: 10.7270/Q2WW7JTP
					More data for this Ligand-Target Pair