Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50360713'   

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))	BDBM50360713 (CHEMBL1934285) Show SMILES Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCOC[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C21H23BrN2O2/c22-19-9-5-4-8-16(19)17-12-23-13-18(17)21(25)24-10-11-26-14-20(24)15-6-2-1-3-7-15/h1-9,17-18,20,23H,10-14H2/t17-,18+,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1 in cell-free system				Bioorg Med Chem Lett 22: 240-4 (2011) Article DOI: 10.1016/j.bmcl.2011.11.024 BindingDB Entry DOI: 10.7270/Q2QR4XJK
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