null

SMILES: CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key: InChIKey=AGUAJIQQHIKKCS-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 242930   

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))	BDBM242930 (US9422255, 8a) Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| Show InChI InChI=1S/C22H27FN6O2S/c1-5-27-32(31)13-22(4,29-20(25)21(32,2)3)16-10-15(7-8-17(16)23)28-19(30)18-9-6-14(11-24)12-26-18/h6-10,12,27,31H,5,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-11.6	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM242930 (US9422255, 8a) Show SMILES CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r| Show InChI InChI=1S/C22H27FN6O2S/c1-5-27-32(31)13-22(4,29-20(25)21(32,2)3)16-10-15(7-8-17(16)23)28-19(30)18-9-6-14(11-24)12-26-18/h6-10,12,27,31H,5,13H2,1-4H3,(H2,25,29)(H,28,30)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	-11.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor compounds, prepared at 3× the desired final concentration in 1× BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0...				US Patent US9422255 (2016) BindingDB Entry DOI: 10.7270/Q20P0XXS
					More data for this Ligand-Target Pair