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SMILES: COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)ccnc2c1

InChI Key: InChIKey=OOSNAVKSOJJPDB-DENIHFKCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 402430   

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))	BDBM402430 (US10329291, Example 21) Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)ccnc2c1 |r| Show InChI InChI=1S/C22H23FN6O3S/c1-29-21(24)28-22(8-3-4-19(22)33(29,30)31)15-10-13(5-6-16(15)23)27-17-7-9-25-18-11-14(32-2)12-26-20(17)18/h5-7,9-12,19H,3-4,8H2,1-2H3,(H2,24,28)(H,25,27)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	198	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))	BDBM402430 (US10329291, Example 21) Show SMILES COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)ccnc2c1 |r| Show InChI InChI=1S/C22H23FN6O3S/c1-29-21(24)28-22(8-3-4-19(22)33(29,30)31)15-10-13(5-6-16(15)23)27-17-7-9-25-18-11-14(32-2)12-26-20(17)18/h5-7,9-12,19H,3-4,8H2,1-2H3,(H2,24,28)(H,25,27)/t19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	206	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