Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM236580'   

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 2 (Homo sapiens (Human))	BDBM236580 (US9365589, 1g) Show SMILES CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F |r| Show InChI InChI=1S/C20H20FN5O4S2/c1-19(2)17(22)25-20(10-30-9-15(20)32(19,28)29)12-7-11(3-4-13(12)21)23-16(27)14-8-26-5-6-31-18(26)24-14/h3-8,15H,9-10H2,1-2H3,(H2,22,25)(H,23,27)/t15-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US9365589 (2016) BindingDB Entry DOI: 10.7270/Q2QZ28V2
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