null

SMILES: CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F

InChI Key: InChIKey=LYFUOUCTBFBWCS-OXQOHEQNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 402432   

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))	BDBM402432 (US10329291, Example 23) Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F |r| Show InChI InChI=1S/C20H19BrFN7O2S/c1-29-19(23)28-20(6-2-3-16(20)32(29,30)31)13-8-12(4-5-14(13)22)27-18-17-15(25-10-26-18)7-11(21)9-24-17/h4-5,7-10,16H,2-3,6H2,1H3,(H2,23,28)(H,25,26,27)/t16-,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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))	BDBM402432 (US10329291, Example 23) Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F |r| Show InChI InChI=1S/C20H19BrFN7O2S/c1-29-19(23)28-20(6-2-3-16(20)32(29,30)31)13-8-12(4-5-14(13)22)27-18-17-15(25-10-26-18)7-11(21)9-24-17/h4-5,7-10,16H,2-3,6H2,1H3,(H2,23,28)(H,25,26,27)/t16-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	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