Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM50180399'   

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))	BDBM50180399 (CHEMBL206097 | N-(5-bromo-2-(4-(thiophen-2-ylsulfo...) Show SMILES Brc1ccc(N2CCN(CC2)S(=O)(=O)c2cccs2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1 Show InChI InChI=1S/C24H20BrN3O5S2/c25-16-7-8-19(27-9-11-28(12-10-27)35(31,32)23-6-3-13-34-23)18(14-16)26-24(30)22-15-20(29)17-4-1-2-5-21(17)33-22/h1-8,13-15H,9-12H2,(H,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of BACE1 activity by FRET assay				Bioorg Med Chem Lett 16: 1995-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.064 BindingDB Entry DOI: 10.7270/Q29W0F2N
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