Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50323481'   

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))	BDBM50323481 (CHEMBL1209355 | N-((2S,3R)-4-(1-(3-(1,4-oxazepan-4...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1 |r| Show InChI InChI=1S/C29H39F2N3O3/c1-21(35)33-27(17-22-15-24(30)19-25(31)16-22)28(36)20-32-29(9-3-2-4-10-29)23-7-5-8-26(18-23)34-11-6-13-37-14-12-34/h5,7-8,15-16,18-19,27-28,32,36H,2-4,6,9-14,17,20H2,1H3,(H,33,35)/t27-,28+/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	700	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 20: 4789-94 (2010) Article DOI: 10.1016/j.bmcl.2010.06.112 BindingDB Entry DOI: 10.7270/Q23N24CF
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