BDBM486448 5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile::US10947223, Example 112

SMILES: C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F

InChI Key: InChIKey=PXTDXZZUHWYXNV-NCZAMSSJSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 486448   

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))	BDBM486448 (5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-tri...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C20H16F5N5O2/c1-19(17(9-31-18(27)30-19)32-10-20(23,24)25)13-4-11(2-3-14(13)21)5-15(22)16-8-28-12(6-26)7-29-16/h2-5,7-8,17H,9-10H2,1H3,(H2,27,30)/b15-5-/t17-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021)
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM486448 (5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-tri...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C20H16F5N5O2/c1-19(17(9-31-18(27)30-19)32-10-20(23,24)25)13-4-11(2-3-14(13)21)5-15(22)16-8-28-12(6-26)7-29-16/h2-5,7-8,17H,9-10H2,1H3,(H2,27,30)/b15-5-/t17-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description Recombinant CatD was expressed in CHO cells. The assay buffer for CatD was 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The CatD enzyme (9 nM) ...				US Patent US10947223 (2021)
					More data for this Ligand-Target Pair
Beta-secretase 2 (BACE2) (Mus musculus (Mouse))	BDBM486448 (5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-tri...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C20H16F5N5O2/c1-19(17(9-31-18(27)30-19)32-10-20(23,24)25)13-4-11(2-3-14(13)21)5-15(22)16-8-28-12(6-26)7-29-16/h2-5,7-8,17H,9-10H2,1H3,(H2,27,30)/b15-5-/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cDNAs for both human recombinant BACE1 and 2 with C-terminal 6-His Tags were cloned into transient protein expression vectors, which were subsequ...				US Patent US10947223 (2021)
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM486448 (5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-tri...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:2| Show InChI InChI=1S/C20H16F5N5O2/c1-19(17(9-31-18(27)30-19)32-10-20(23,24)25)13-4-11(2-3-14(13)21)5-15(22)16-8-28-12(6-26)7-29-16/h2-5,7-8,17H,9-10H2,1H3,(H2,27,30)/b15-5-/t17-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. US Patent					Assay Description The cell-based assay measures inhibition or reduction of Aβ40 in conditioned medium of test compound treated cells expressing amyloid precursor ...				US Patent US10947223 (2021)
					More data for this Ligand-Target Pair