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SMILES: CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cnco1

InChI Key: InChIKey=PDEBELMNDDDCJC-INIZCTEOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242963   

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 2 (Homo sapiens (Human))	BDBM242963 (US9422277, 26) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cnco1 |r| Show InChI InChI=1S/C16H15FN6O4S/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(27-13)12-6-19-8-26-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	802	-8.45	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....				US Patent US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM242963 (US9422277, 26) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cnco1 |r| Show InChI InChI=1S/C16H15FN6O4S/c1-16(7-28(24,25)23(2)15(18)20-16)10-5-9(3-4-11(10)17)13-21-22-14(27-13)12-6-19-8-26-12/h3-6,8H,7H2,1-2H3,(H2,18,20)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.25E+3	-8.18	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422277 (2016) BindingDB Entry DOI: 10.7270/Q2VX0FFW
					More data for this Ligand-Target Pair