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SMILES: COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F

InChI Key: InChIKey=OGEVSLFGHQATOX-YXKFXFPPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 439296   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM439296 (US10604534, Example 13) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F |r| Show InChI InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-16-5-11(21)8-25-18(16)23/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE1: Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); A...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM439296 (US10604534, Example 13) Show SMILES COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F |r| Show InChI InChI=1S/C20H21F3N4O5S/c1-27-19(24)26-20(10-31-13(9-30-2)7-17(20)33(27,28)29)14-6-12(3-4-15(14)22)32-16-5-11(21)8-25-18(16)23/h3-6,8,13,17H,7,9-10H2,1-2H3,(H2,24,26)/t13-,17-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BACE-2: Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY...				US Patent US10604534 (2020) BindingDB Entry DOI: 10.7270/Q2057JXQ
					More data for this Ligand-Target Pair