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SMILES: CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnsn4)cc23)CS1(=O)=O

InChI Key: InChIKey=LEKHDTHOPXHWTP-HNNXBMFYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 291127   

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))	BDBM291127 (US9580396, Example 2s) Show SMILES CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnsn4)cc23)CS1(=O)=O |r| Show InChI InChI=1S/C15H16N6O4S2/c1-21-14(16)19-15(8-27(21,23)24)4-5-25-12-3-2-9(6-10(12)15)18-13(22)11-7-17-26-20-11/h2-3,6-7H,4-5,8H2,1H3,(H2,16,19)(H,18,22)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	46	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 US9580396 (2017) BindingDB Entry DOI: 10.7270/Q29K4D9S
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM291127 (US9580396, Example 2s) Show SMILES CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnsn4)cc23)CS1(=O)=O |r| Show InChI InChI=1S/C15H16N6O4S2/c1-21-14(16)19-15(8-27(21,23)24)4-5-25-12-3-2-9(6-10(12)15)18-13(22)11-7-17-26-20-11/h2-3,6-7H,4-5,8H2,1H3,(H2,16,19)(H,18,22)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	240	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9580396 (2017) BindingDB Entry DOI: 10.7270/Q29K4D9S
					More data for this Ligand-Target Pair