Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50212177'   

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))	BDBM50212177 ((5R,14R)-5-amino-5-methyl-19-oxazol-2-yl-14-phenyl...) Show SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ncco1)c1ccccc1)c2 Show InChI InChI=1S/C30H29N3O4/c1-30(31)18-21-7-5-6-20(14-21)10-11-26(23-8-3-2-4-9-23)33-27(34)24-15-22(19-37-29(30)35)16-25(17-24)28-32-12-13-36-28/h2-9,12-17,26H,10-11,18-19,31H2,1H3,(H,33,34)/t26-,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 17: 4057-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.072 BindingDB Entry DOI: 10.7270/Q2Q81CS4
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