Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50321124'   

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))	BDBM50321124 (CHEMBL1164756 | Xestosaprol F) Show SMILES C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 |r,t:9| Show InChI InChI=1S/C22H22O5/c1-22-6-5-17(24)15-11-27-21(19(15)22)20(25)14-10-13-12(9-16(14)22)3-2-4-18(13)26-8-7-23/h2-4,9-10,15,17,23-24H,5-8,11H2,1H3/t15-,17-,22-/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	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inhibition of BACE1 mediated cleavage of amyloid precursor protein by chemiluminescence assay				J Nat Prod 73: 1188-91 (2010) Article DOI: 10.1021/np100203x BindingDB Entry DOI: 10.7270/Q2M32VXF
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