Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50330566'   

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))	BDBM50330566 (CHEMBL1275914 | N-[(R)-3-(4-Benzhydryl-piperazin-1...) Show SMILES O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H38ClN3O3S/c35-31-16-18-33(19-17-31)42(40,41)38(21-20-28-10-4-1-5-11-28)27-32(39)26-36-22-24-37(25-23-36)34(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,32,34,39H,20-27H2/t32-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of BACE1 by fluorescence assay				Bioorg Med Chem 18: 7991-6 (2010) Article DOI: 10.1016/j.bmc.2010.09.032 BindingDB Entry DOI: 10.7270/Q27944X5
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