BDBM486445 (4R,5R)-4-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluorovinyl)-2-fluorophenyl)-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-2-amine::US10947223, Example 110

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

InChI Key: InChIKey=BBZZNAFTKLSHGA-OTEYBFNZSA-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 = 486445   

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))	BDBM486445 ((4R,5R)-4-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluor...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C19H16ClF5N4O2/c1-18(15(8-30-17(26)29-18)31-9-19(23,24)25)11-4-10(2-3-12(11)21)5-13(22)14-6-28-16(20)7-27-14/h2-7,15H,8-9H2,1H3,(H2,26,29)/b13-5-/t15-,18+/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	341	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))	BDBM486445 ((4R,5R)-4-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluor...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C19H16ClF5N4O2/c1-18(15(8-30-17(26)29-18)31-9-19(23,24)25)11-4-10(2-3-12(11)21)5-13(22)14-6-28-16(20)7-27-14/h2-7,15H,8-9H2,1H3,(H2,26,29)/b13-5-/t15-,18+/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	5.24E+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))	BDBM486445 ((4R,5R)-4-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluor...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C19H16ClF5N4O2/c1-18(15(8-30-17(26)29-18)31-9-19(23,24)25)11-4-10(2-3-12(11)21)5-13(22)14-6-28-16(20)7-27-14/h2-7,15H,8-9H2,1H3,(H2,26,29)/b13-5-/t15-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.51E+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))	BDBM486445 ((4R,5R)-4-(5-((Z)-2-(5-chloropyrazin-2-yl)-2-fluor...) Show SMILES C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,t:2| Show InChI InChI=1S/C19H16ClF5N4O2/c1-18(15(8-30-17(26)29-18)31-9-19(23,24)25)11-4-10(2-3-12(11)21)5-13(22)14-6-28-16(20)7-27-14/h2-7,15H,8-9H2,1H3,(H2,26,29)/b13-5-/t15-,18+/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	90	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