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Patent code US8956589

Compile Data Set for Download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145857
PNG
(US8956589, 29)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cncc(c2)C(F)(F)F)ccc1O
Show InChI InChI=1S/C20H16F3NO4/c1-28-19-9-13(4-7-18(19)27)2-5-16(25)10-17(26)6-3-14-8-15(12-24-11-14)20(21,22)23/h2-9,11-12,27H,10H2,1H3/b5-2+,6-3+
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US Patent
n/an/a 100n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145855
PNG
(US8956589, 27)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(c2)C(F)(F)F)ccc1O
Show InChI InChI=1S/C21H17F3O5/c1-29-20-11-14(5-9-19(20)28)3-7-16(26)12-15(25)6-2-13-4-8-18(27)17(10-13)21(22,23)24/h2-11,27-28H,12H2,1H3/b6-2+,7-3+
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US Patent
n/an/a 130n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145853
PNG
(US8956589, 25)
Show SMILES COC(=O)COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1OC
Show InChI InChI=1S/C24H24O8/c1-29-22-12-16(6-10-20(22)27)4-8-18(25)14-19(26)9-5-17-7-11-21(23(13-17)30-2)32-15-24(28)31-3/h4-13,27H,14-15H2,1-3H3/b8-4+,9-5+
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US Patent
n/an/a 140n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145848
PNG
(US8956589, 7)
Show SMILES CCOC(=O)C(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C24H18F6O8/c1-2-36-22(35)21(17(33)9-5-13-3-7-15(31)19(11-13)37-23(25,26)27)18(34)10-6-14-4-8-16(32)20(12-14)38-24(28,29)30/h3-12,21,31-32H,2H2,1H3/b9-5+,10-6+
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n/an/a 140n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145840
PNG
(US8956589, 23)
Show SMILES Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC(F)(F)F)c2)cc1OC(F)(F)F
Show InChI InChI=1S/C21H14F6O6/c22-20(23,24)32-18-9-12(3-7-16(18)30)1-5-14(28)11-15(29)6-2-13-4-8-17(31)19(10-13)33-21(25,26)27/h1-10,30-31H,11H2/b5-1+,6-2+
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n/an/a 210n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145859
PNG
(US8956589, 15)
Show SMILES Oc1ccc(\C=C\C(=O)C(CCC#N)C(=O)\C=C\c2ccc(O)c(OC(F)(F)F)c2)cc1OC(F)(F)F
Show InChI InChI=1S/C24H17F6NO6/c25-23(26,27)36-21-12-14(5-9-19(21)34)3-7-17(32)16(2-1-11-31)18(33)8-4-15-6-10-20(35)22(13-15)37-24(28,29)30/h3-10,12-13,16,34-35H,1-2H2/b7-3+,8-4+
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n/an/a 300n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145844
PNG
(US8956589, 6)
Show SMILES COC(=O)CCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C26H22F6O8/c1-38-24(37)4-2-3-17(18(33)9-5-15-7-11-20(35)22(13-15)39-25(27,28)29)19(34)10-6-16-8-12-21(36)23(14-16)40-26(30,31)32/h5-14,17,35-36H,2-4H2,1H3/b9-5+,10-6+
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n/an/a 310n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145854
PNG
(US8956589, 26)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OCC(O)=O)c(OC)c2)ccc1O
Show InChI InChI=1S/C23H22O8/c1-29-21-11-15(5-9-19(21)26)3-7-17(24)13-18(25)8-4-16-6-10-20(22(12-16)30-2)31-14-23(27)28/h3-12,26H,13-14H2,1-2H3,(H,27,28)/b7-3+,8-4+
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n/an/a 310n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145860
PNG
(US8956589, 16)
Show SMILES CC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C22H16F6O6/c1-12(15(29)6-2-13-4-8-17(31)19(10-13)33-21(23,24)25)16(30)7-3-14-5-9-18(32)20(11-14)34-22(26,27)28/h2-12,31-32H,1H3/b6-2+,7-3+
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US Patent
n/an/a 320n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145858
PNG
(US8956589, 14)
Show SMILES COC(=O)CCC(C(=O)\C=C\c1ccc(O)c(c1)C(F)(F)F)C(=O)\C=C\c1ccc(O)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H20F6O6/c1-37-23(36)11-6-16(19(32)7-2-14-4-9-21(34)17(12-14)24(26,27)28)20(33)8-3-15-5-10-22(35)18(13-15)25(29,30)31/h2-5,7-10,12-13,16,34-35H,6,11H2,1H3/b7-2+,8-3+
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n/an/a 360n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145845
PNG
(US8956589, 8)
Show SMILES CCOC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C26H22F6O8/c1-2-38-24(37)12-7-17(18(33)8-3-15-5-10-20(35)22(13-15)39-25(27,28)29)19(34)9-4-16-6-11-21(36)23(14-16)40-26(30,31)32/h3-6,8-11,13-14,17,35-36H,2,7,12H2,1H3/b8-3+,9-4+
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n/an/a 380n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145841
PNG
(US8956589, 1)
Show SMILES COC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C25H20F6O8/c1-37-23(36)11-6-16(17(32)7-2-14-4-9-19(34)21(12-14)38-24(26,27)28)18(33)8-3-15-5-10-20(35)22(13-15)39-25(29,30)31/h2-5,7-10,12-13,16,34-35H,6,11H2,1H3/b7-2+,8-3+
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n/an/a 440n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145850
PNG
(US8956589, 20)
Show SMILES COCOCCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C26H24F6O8/c1-37-15-38-12-2-3-18(19(33)8-4-16-6-10-21(35)23(13-16)39-25(27,28)29)20(34)9-5-17-7-11-22(36)24(14-17)40-26(30,31)32/h4-11,13-14,18,35-36H,2-3,12,15H2,1H3/b8-4+,9-5+
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n/an/a 500n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145851
PNG
(US8956589, 21)
Show SMILES CN(C)C(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C26H23F6NO7/c1-33(2)24(38)12-7-17(18(34)8-3-15-5-10-20(36)22(13-15)39-25(27,28)29)19(35)9-4-16-6-11-21(37)23(14-16)40-26(30,31)32/h3-6,8-11,13-14,17,36-37H,7,12H2,1-2H3/b8-3+,9-4+
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n/an/a 500n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145843
PNG
(US8956589, 5)
Show SMILES COC(=O)CC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C24H18F6O8/c1-36-22(35)12-15(16(31)6-2-13-4-8-18(33)20(10-13)37-23(25,26)27)17(32)7-3-14-5-9-19(34)21(11-14)38-24(28,29)30/h2-11,15,33-34H,12H2,1H3/b6-2+,7-3+
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n/an/a 520n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145849
PNG
(US8956589, 19)
Show SMILES COC(=O)CCC(C(=O)\C=C\c1ccc(O[Na])c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O[Na])c(OC(F)(F)F)c1
Show InChI InChI=1S/C25H20F6O8.2Na/c1-37-23(36)11-6-16(17(32)7-2-14-4-9-19(34)21(12-14)38-24(26,27)28)18(33)8-3-15-5-10-20(35)22(13-15)39-25(29,30)31;;/h2-5,7-10,12-13,16,34-35H,6,11H2,1H3;;/q;2*+1/p-2/b7-2+,8-3+;;
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n/an/a 560n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145846
PNG
(US8956589, 9)
Show SMILES CC(C)(C)OC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C28H26F6O8/c1-26(2,3)42-25(39)13-8-18(19(35)9-4-16-6-11-21(37)23(14-16)40-27(29,30)31)20(36)10-5-17-7-12-22(38)24(15-17)41-28(32,33)34/h4-7,9-12,14-15,18,37-38H,8,13H2,1-3H3/b9-4+,10-5+
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US Patent
n/an/a 650n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145861
PNG
(US8956589, 30)
Show SMILES COC(=O)CCC(C(=O)\C=C\c1ccco1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C22H19F3O7/c1-30-21(29)11-7-16(18(27)10-6-15-3-2-12-31-15)17(26)8-4-14-5-9-19(28)20(13-14)32-22(23,24)25/h2-6,8-10,12-13,16,28H,7,11H2,1H3/b8-4+,10-6+
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US Patent
n/an/a 650n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145852
PNG
(US8956589, 22)
Show SMILES OCCOCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C25H22F6O8/c26-24(27,28)38-22-13-15(3-7-20(22)35)1-5-18(33)17(9-11-37-12-10-32)19(34)6-2-16-4-8-21(36)23(14-16)39-25(29,30)31/h1-8,13-14,17,32,35-36H,9-12H2/b5-1+,6-2+
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n/an/a 700n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145847
PNG
(US8956589, 2)
Show SMILES OC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C24H18F6O8/c25-23(26,27)37-20-11-13(3-8-18(20)33)1-6-16(31)15(5-10-22(35)36)17(32)7-2-14-4-9-19(34)21(12-14)38-24(28,29)30/h1-4,6-9,11-12,15,33-34H,5,10H2,(H,35,36)/b6-1+,7-2+
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n/an/a 1.30E+3n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145856
PNG
(US8956589, 28)
Show SMILES CNc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(NC)c(c2)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C23H20F6N2O2/c1-30-20-9-5-14(11-18(20)22(24,25)26)3-7-16(32)13-17(33)8-4-15-6-10-21(31-2)19(12-15)23(27,28)29/h3-12,30-31H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 5.80E+3n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM145842
PNG
(US8956589, 24)
Show SMILES CC(C)(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
Show InChI InChI=1S/C23H18F6O6/c1-21(2,19(32)9-5-13-3-7-15(30)17(11-13)34-22(24,25)26)20(33)10-6-14-4-8-16(31)18(12-14)35-23(27,28)29/h3-12,30-31H,1-2H3/b9-5+,10-6+
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n/an/a>1.50E+4n/an/an/an/a7.530



Shiga University of Medical Science

US Patent


Assay Description
First, amyloid beta peptides (1-40, Peptide Institute, Minoh-shi, Osaka) were dissolved in a 50 mM phosphate buffer containing 100 mM sodium chloride...


US Patent US8956589 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MQ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%