Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50352853'   

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))	BDBM50352853 (CHEMBL1824338) Show SMILES CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50352853 (CHEMBL1824338) Show SMILES CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C20H16F4N6O/c1-29-17(31)20(28-18(29)25,14-9-27-30(10-14)11-19(22,23)24)13-5-2-4-12(8-13)15-6-3-7-26-16(15)21/h2-10H,11H2,1H3,(H2,25,28)/t20-/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	n/a	n/a	430	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair