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BDBM276793 3-fluoro-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 8

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

InChI Key: InChIKey=ILDBHCXYFTUYOS-IBGZPJMESA-N

Data: 3 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 3 hits for monomerid = 276793   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-secretase 2


(Homo sapiens (Human))
BDBM276793
PNG
(3-fluoro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F
Show InChI InChI=1S/C19H18F2N6O2S/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

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
0.240n/an/an/an/an/an/a5.0n/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)


Article DOI: 10.1021/jm050261p
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM276793
PNG
(3-fluoro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F
Show InChI InChI=1S/C19H18F2N6O2S/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
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.10n/an/an/an/an/an/a5.0n/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)


Article DOI: 10.1021/jm050261p
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM276793
PNG
(3-fluoro-N-{4-fluoro-3-[(5R)-3-imino-2,5-dimethyl-...)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F
Show InChI InChI=1S/C19H18F2N6O2S/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
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.10n/an/an/an/an/an/a5.0n/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)


Article DOI: 10.1021/jm050261p
More data for this
Ligand-Target Pair