Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50301217'   

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))	BDBM50301217 (4-(4-fluoro-5-methoxy-1-(4-(trifluoromethyl)benzyl...) Show SMILES COC1=C(F)C2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 |c:2,23| Show InChI InChI=1S/C22H23F4N3O/c1-29-12-18(28-20(29)27)21(11-13-3-5-14(6-4-13)22(24,25)26)10-9-15-16(21)7-8-17(30-2)19(15)23/h3-8,12,15-16H,9-11H2,1-2H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE-1				Bioorg Med Chem Lett 19: 4993-5 (2009) Article DOI: 10.1016/j.bmcl.2009.07.071 BindingDB Entry DOI: 10.7270/Q2Z31ZP8
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