null

SMILES: COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2

InChI Key: InChIKey=RZWPKMTXBIDSAY-DNVCBOLYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 402426   

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))	BDBM402426 (US10329291, Example 17) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 |r| Show InChI InChI=1S/C19H21FN6O4S/c1-26-18(21)25-19(7-3-4-15(19)31(26,28)29)12-8-11(5-6-13(12)20)24-17(27)14-9-23-16(30-2)10-22-14/h5-6,8-10,15H,3-4,7H2,1-2H3,(H2,21,25)(H,24,27)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2ZW1P72
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM402426 (US10329291, Example 17) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 |r| Show InChI InChI=1S/C19H21FN6O4S/c1-26-18(21)25-19(7-3-4-15(19)31(26,28)29)12-8-11(5-6-13(12)20)24-17(27)14-9-23-16(30-2)10-22-14/h5-6,8-10,15H,3-4,7H2,1-2H3,(H2,21,25)(H,24,27)/t15-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The compounds of the invention were assessed for their ability to inhibit BACE-1 using the following assay. The resulting values are reported in the ...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2ZW1P72
					More data for this Ligand-Target Pair