BDBM276787 3-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1,1-dioxido-1,2,4-thiadiazinan-5-yl]phenyl}-1,7-naphthyridin-8-amine::US10071998, Example 2

SMILES: CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F

InChI Key: InChIKey=SOEUZVDUBKCDGB-IBGZPJMESA-N

Data: 2 KI

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 2 hits for monomerid = 276787   

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 2 (Homo sapiens (Human))	BDBM276787 (3-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1...) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r| Show InChI InChI=1S/C19H18BrFN6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.380	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA US Patent					Assay Description Inhibitor IC50s, at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US10071998 (2018) BindingDB Entry DOI: 10.7270/Q2C82CBK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM276787 (3-bromo-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-1...) Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r| Show InChI InChI=1S/C19H18BrFN6O2S/c1-19(10-30(28,29)27(2)18(22)26-19)14-8-13(3-4-15(14)21)25-17-16-11(5-6-23-17)7-12(20)9-24-16/h3-9H,10H2,1-2H3,(H2,22,26)(H,23,25)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
TBA US Patent					Assay Description The following reagents were used in this assay. Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE-1...				US Patent US10071998 (2018) BindingDB Entry DOI: 10.7270/Q2C82CBK
					More data for this Ligand-Target Pair