Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50032744'   

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))	BDBM50032744 (CHEMBL3354715) Show SMILES CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2F)COC1 |r,c:21| Show InChI InChI=1S/C25H21F2N3O4/c1-24(10-31-11-24)12-32-15-8-18-21(19(26)9-15)34-20-5-4-14(16-3-2-6-29-22(16)27)7-17(20)25(18)13-33-23(28)30-25/h2-9H,10-13H2,1H3,(H2,28,30)/t25-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) assessed as enhancement of fluorescence intensity				J Med Chem 57: 9796-810 (2014) Article DOI: 10.1021/jm501266w BindingDB Entry DOI: 10.7270/Q28S4RHC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50032744 (CHEMBL3354715) Show SMILES CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2F)COC1 |r,c:21| Show InChI InChI=1S/C25H21F2N3O4/c1-24(10-31-11-24)12-32-15-8-18-21(19(26)9-15)34-20-5-4-14(16-3-2-6-29-22(16)27)7-17(20)25(18)13-33-23(28)30-25/h2-9H,10-13H2,1H3,(H2,28,30)/t25-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA				J Med Chem 57: 9796-810 (2014) Article DOI: 10.1021/jm501266w BindingDB Entry DOI: 10.7270/Q28S4RHC
					More data for this Ligand-Target Pair