null

SMILES: CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F

InChI Key: InChIKey=KRTFPNBGWDVTOU-DENIHFKCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 402427   

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 1 (Homo sapiens (Human))	BDBM402427 (US10329291, Example 18) Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r| Show InChI InChI=1S/C22H22FN5O4S/c1-3-11-32-15-7-9-18(25-13-15)20(29)26-14-6-8-17(23)16(12-14)22-10-4-5-19(22)33(30,31)28(2)21(24)27-22/h1,6-9,12-13,19H,4-5,10-11H2,2H3,(H2,24,27)(H,26,29)/t19-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	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 2 (Homo sapiens (Human))	BDBM402427 (US10329291, Example 18) Show SMILES CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r| Show InChI InChI=1S/C22H22FN5O4S/c1-3-11-32-15-7-9-18(25-13-15)20(29)26-14-6-8-17(23)16(12-14)22-10-4-5-19(22)33(30,31)28(2)21(24)27-22/h1,6-9,12-13,19H,4-5,10-11H2,2H3,(H2,24,27)(H,26,29)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	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