BDBM486442 (2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine::US10947223, Example 107

SMILES: C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F

InChI Key: InChIKey=XPGZWNDZVXGPSB-MUKCZTLISA-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 = 486442   

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))	BDBM486442 ((2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-y...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C22H19F5N4O2/c1-4-7-32-18-11-29-17(10-30-18)16(24)9-13-5-6-15(23)14(8-13)20(2)12-33-21(3,19(28)31-20)22(25,26)27/h1,5-6,8-11H,7,12H2,2-3H3,(H2,28,31)/b16-9-/t20-,21+/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	50	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))	BDBM486442 ((2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-y...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C22H19F5N4O2/c1-4-7-32-18-11-29-17(10-30-18)16(24)9-13-5-6-15(23)14(8-13)20(2)12-33-21(3,19(28)31-20)22(25,26)27/h1,5-6,8-11H,7,12H2,2-3H3,(H2,28,31)/b16-9-/t20-,21+/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	8.25E+4	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))	BDBM486442 ((2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-y...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C22H19F5N4O2/c1-4-7-32-18-11-29-17(10-30-18)16(24)9-13-5-6-15(23)14(8-13)20(2)12-33-21(3,19(28)31-20)22(25,26)27/h1,5-6,8-11H,7,12H2,2-3H3,(H2,28,31)/b16-9-/t20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	375	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))	BDBM486442 ((2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-y...) Show SMILES C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:7| Show InChI InChI=1S/C22H19F5N4O2/c1-4-7-32-18-11-29-17(10-30-18)16(24)9-13-5-6-15(23)14(8-13)20(2)12-33-21(3,19(28)31-20)22(25,26)27/h1,5-6,8-11H,7,12H2,2-3H3,(H2,28,31)/b16-9-/t20-,21+/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	112	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