Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM210121'   

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))	BDBM210121 (US9270353, 96) Show SMILES C\C(CN1CCOCC1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:14| Show InChI InChI=1S/C25H27FN6O2S/c1-16(15-32-7-9-34-10-8-32)22-12-25(2,31-24(28)35-22)19-11-18(4-5-20(19)26)30-23(33)21-6-3-17(13-27)14-29-21/h3-6,11,14H,7-10,12,15H2,1-2H3,(H2,28,31)(H,30,33)/b22-16-/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	5.0	n/a
Shionogi & Co., Ltd. US Patent					Assay Description 48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...				US Patent US9273053 (2016) BindingDB Entry DOI: 10.7270/Q24Q7SVG
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