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PubMed code 24900690

Compile data set for download or QSAR
Found 24 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
Beta-secretase 2


(Homo sapiens (Human))		BDBM186055
PNG
(US9163011, 9)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1/2


(Homo sapiens (Human))		BDBM186049
PNG
(US9163011, 3)
Show SMILES CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM186075
PNG
(US9163011, 30)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1/2


(Homo sapiens (Human))		BDBM186080
PNG
(US9163011, 35)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1/2


(Homo sapiens (Human))		BDBM186048
PNG
(US9163011, 2)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM186048
PNG
(US9163011, 2)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM186080
PNG
(US9163011, 35)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1/2


(Homo sapiens (Human))		BDBM186055
PNG
(US9163011, 9)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1/2


(Homo sapiens (Human))		BDBM186075
PNG
(US9163011, 30)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM186055
PNG
(US9163011, 9)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Show InChI InChI=1S/C16H12Cl2F3N5O2/c1-15(16(20,21)6-28-14(22)26-15)12-9(19)2-3-10(24-12)25-13(27)11-8(18)4-7(17)5-23-11/h2-5H,6H2,1H3,(H2,22,26)(H,24,25,27)/t15-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM186075
PNG
(US9163011, 30)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C15H12ClF5N6O2/c1-14(15(20,21)5-29-13(22)25-14)10-7(17)2-3-8(23-10)24-11(28)9-6(16)4-27(26-9)12(18)19/h2-4,12H,5H2,1H3,(H2,22,25)(H,23,24,28)/t14-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1/2


(Homo sapiens (Human))		BDBM186053
PNG
(US9163011, 7)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM186049
PNG
(US9163011, 3)
Show SMILES CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM186053
PNG
(US9163011, 7)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1/2


(Homo sapiens (Human))		BDBM186050
PNG
(US9163011, 4)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM186080
PNG
(US9163011, 35)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H13F3N6O2/c1-16(17(19,20)8-28-15(22)26-16)13-10(18)3-5-12(24-13)25-14(27)11-4-2-9(6-21)7-23-11/h2-5,7H,8H2,1H3,(H2,22,26)(H,24,25,27)/t16-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM186049
PNG
(US9163011, 3)
Show SMILES CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|
Show InChI InChI=1S/C19H16ClF3N6O2/c1-17(2)19(22,23)18(3,29-16(25)31-17)14-11(21)4-5-12(27-14)28-15(30)13-10(20)6-9(7-24)8-26-13/h4-6,8H,1-3H3,(H2,25,29)(H,27,28,30)/t18-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM186048
PNG
(US9163011, 2)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF3N6O2/c1-16(17(20,21)7-29-15(23)27-16)13-10(19)2-3-11(25-13)26-14(28)12-9(18)4-8(5-22)6-24-12/h2-4,6H,7H2,1H3,(H2,23,27)(H,25,26,28)/t16-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM186050
PNG
(US9163011, 4)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM186053
PNG
(US9163011, 7)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
Show InChI InChI=1S/C17H12ClF6N5O2/c1-15(16(20,21)6-31-14(25)29-15)12-9(19)2-3-10(27-12)28-13(30)11-8(18)4-7(5-26-11)17(22,23)24/h2-5H,6H2,1H3,(H2,25,29)(H,27,28,30)/t15-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1/2


(Homo sapiens (Human))		BDBM186057
PNG
(US9163011, 11)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of BACE1/BACE2 (unknown origin) transfected in CHO cells assessed as release of amyloid beta (1 to 40) after 24 hrs by immunoassay

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM186050
PNG
(US9163011, 4)
Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
Show InChI InChI=1S/C20H19F3N6O3/c1-11-7-12(8-24)9-26-15(11)17(30)28-14-4-3-13(21)16(27-14)19(5-6-31-2)20(22,23)10-32-18(25)29-19/h3-4,7,9H,5-6,10H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
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n/an/a 580n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM186057
PNG
(US9163011, 11)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE1 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))		BDBM186057
PNG
(US9163011, 11)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|
Show InChI InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BACE2 extracellular domain expressed in baculovirus using Q-C(HS03)-lle-Asp-Leu-Ala-Val-Leu-Asp-HN-CH2-CH2-Mca as sub...

ACS Med Chem Lett 4: 433-4 (2013)


Article DOI: 10.1021/ml400104f
BindingDB Entry DOI: 10.7270/Q24M97F6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%