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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50034213   
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 1


(Homo sapiens (Human))
BDBM50358930
PNG
(CHEMBL1923754)
Show SMILES Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1
Show InChI InChI=1S/C20H12F2N4/c21-14-4-5-16-17(9-14)25-20(24-16)13-3-1-2-12(8-13)18-11-26-7-6-15(22)10-19(26)23-18/h1-11H,(H,24,25)
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17n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358929
PNG
(CHEMBL1923753)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
Show InChI InChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24)
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25n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358928
PNG
(CHEMBL1923752)
Show SMILES Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
Show InChI InChI=1S/C20H13FN4/c21-15-7-8-16-17(11-15)24-20(23-16)14-5-3-4-13(10-14)18-12-25-9-2-1-6-19(25)22-18/h1-12H,(H,23,24)
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34n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358935
PNG
(CHEMBL1923704)
Show SMILES COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C27H28N4O4S/c1-18(19-9-6-5-7-10-19)29-27(32)22-13-21(14-23(15-22)31(2)36(4,33)34)26-28-17-25(30-26)20-11-8-12-24(16-20)35-3/h5-18H,1-4H3,(H,28,30)(H,29,32)/t18-/m0/s1
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62n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358936
PNG
(CHEMBL1923705)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1
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180n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358942
PNG
(CHEMBL1923750)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
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253n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358941
PNG
(CHEMBL1923749)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-9-4-5-12-30(20)23)15-7-6-8-16(13-15)22-26-18-11-10-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)
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301n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358934
PNG
(CHEMBL1923703)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1
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304n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358940
PNG
(CHEMBL1923709)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-13-6-7-14-29(20)23)16-9-8-10-17(15-16)22-25-18-11-4-5-12-19(18)26-22/h4-15,28H,1-3H3,(H,25,26)
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495n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358932
PNG
(CHEMBL1923701)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1
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525n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358933
PNG
(CHEMBL1923702)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1
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758n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358927
PNG
(CHEMBL1923751)
Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)
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926n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358931
PNG
(CHEMBL1923700)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccccc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H24N4O3S/c1-16(17-9-5-4-6-10-17)25-24(29)19-13-18(14-20(15-19)28(2)32(3,30)31)23-26-21-11-7-8-12-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27)/t16-/m0/s1
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1.04E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358934
PNG
(CHEMBL1923703)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1
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1.73E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358936
PNG
(CHEMBL1923705)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1
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1.82E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358933
PNG
(CHEMBL1923702)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1
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2.07E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358931
PNG
(CHEMBL1923700)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccccc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H24N4O3S/c1-16(17-9-5-4-6-10-17)25-24(29)19-13-18(14-20(15-19)28(2)32(3,30)31)23-26-21-11-7-8-12-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27)/t16-/m0/s1
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2.07E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358939
PNG
(CHEMBL1923708)
Show SMILES COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
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2.16E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358935
PNG
(CHEMBL1923704)
Show SMILES COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C27H28N4O4S/c1-18(19-9-6-5-7-10-19)29-27(32)22-13-21(14-23(15-22)31(2)36(4,33)34)26-28-17-25(30-26)20-11-8-12-24(16-20)35-3/h5-18H,1-4H3,(H,28,30)(H,29,32)/t18-/m0/s1
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2.28E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358932
PNG
(CHEMBL1923701)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1
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PubMed
2.35E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358938
PNG
(CHEMBL1923707)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-6-4-5-13-30(20)23)15-7-9-16(10-8-15)22-26-18-12-11-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)
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PubMed
2.39E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358939
PNG
(CHEMBL1923708)
Show SMILES COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
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PubMed
2.81E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358928
PNG
(CHEMBL1923752)
Show SMILES Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
Show InChI InChI=1S/C20H13FN4/c21-15-7-8-16-17(11-15)24-20(23-16)14-5-3-4-13(10-14)18-12-25-9-2-1-6-19(25)22-18/h1-12H,(H,23,24)
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3.08E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358929
PNG
(CHEMBL1923753)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
Show InChI InChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24)
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3.22E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358930
PNG
(CHEMBL1923754)
Show SMILES Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1
Show InChI InChI=1S/C20H12F2N4/c21-14-4-5-16-17(9-14)25-20(24-16)13-3-1-2-12(8-13)18-11-26-7-6-15(22)10-19(26)23-18/h1-11H,(H,24,25)
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3.57E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358938
PNG
(CHEMBL1923707)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-6-4-5-13-30(20)23)15-7-9-16(10-8-15)22-26-18-12-11-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)
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PubMed
3.62E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358940
PNG
(CHEMBL1923709)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-13-6-7-14-29(20)23)16-9-8-10-17(15-16)22-25-18-11-4-5-12-19(18)26-22/h4-15,28H,1-3H3,(H,25,26)
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3.67E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358927
PNG
(CHEMBL1923751)
Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)
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3.78E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358942
PNG
(CHEMBL1923750)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358941
PNG
(CHEMBL1923749)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-9-4-5-12-30(20)23)15-7-6-8-16(13-15)22-26-18-11-10-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)
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4.11E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358937
PNG
(CHEMBL1923706)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-10-6-7-15-29(20)23)16-11-13-17(14-12-16)22-25-18-8-4-5-9-19(18)26-22/h4-15,28H,1-3H3,(H,25,26)
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5.31E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358937
PNG
(CHEMBL1923706)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-10-6-7-15-29(20)23)16-11-13-17(14-12-16)22-25-18-8-4-5-9-19(18)26-22/h4-15,28H,1-3H3,(H,25,26)
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5.51E+3n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358930
PNG
(CHEMBL1923754)
Show SMILES Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1
Show InChI InChI=1S/C20H12F2N4/c21-14-4-5-16-17(9-14)25-20(24-16)13-3-1-2-12(8-13)18-11-26-7-6-15(22)10-19(26)23-18/h1-11H,(H,24,25)
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n/an/a 18n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358929
PNG
(CHEMBL1923753)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
Show InChI InChI=1S/C21H16N4O/c1-26-16-8-9-17-18(12-16)24-21(23-17)15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)22-19/h2-13H,1H3,(H,23,24)
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n/an/a 26n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358928
PNG
(CHEMBL1923752)
Show SMILES Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
Show InChI InChI=1S/C20H13FN4/c21-15-7-8-16-17(11-15)24-20(23-16)14-5-3-4-13(10-14)18-12-25-9-2-1-6-19(25)22-18/h1-12H,(H,23,24)
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n/an/a 35n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358935
PNG
(CHEMBL1923704)
Show SMILES COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C27H28N4O4S/c1-18(19-9-6-5-7-10-19)29-27(32)22-13-21(14-23(15-22)31(2)36(4,33)34)26-28-17-25(30-26)20-11-8-12-24(16-20)35-3/h5-18H,1-4H3,(H,28,30)(H,29,32)/t18-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358942
PNG
(CHEMBL1923750)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-10-5-6-13-30(21)24)16-8-7-9-17(14-16)23-26-19-12-11-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
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n/an/a 178n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358936
PNG
(CHEMBL1923705)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1
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n/an/a 187n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358941
PNG
(CHEMBL1923749)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-9-4-5-12-30(20)23)15-7-6-8-16(13-15)22-26-18-11-10-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)
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n/an/a 312n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358934
PNG
(CHEMBL1923703)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1
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n/an/a 315n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358940
PNG
(CHEMBL1923709)
Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H23N5/c1-24(2,3)28-23-21(27-20-13-6-7-14-29(20)23)16-9-8-10-17(15-16)22-25-18-11-4-5-12-19(18)26-22/h4-15,28H,1-3H3,(H,25,26)
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n/an/a 514n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358932
PNG
(CHEMBL1923701)
Show SMILES COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C25H26N4O4S/c1-16(17-8-6-5-7-9-17)26-25(30)19-12-18(13-20(14-19)29(2)34(4,31)32)24-27-22-11-10-21(33-3)15-23(22)28-24/h5-16H,1-4H3,(H,26,30)(H,27,28)/t16-/m0/s1
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n/an/a 545n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358933
PNG
(CHEMBL1923702)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1
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n/an/a 786n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358927
PNG
(CHEMBL1923751)
Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)
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n/an/a 961n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358931
PNG
(CHEMBL1923700)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccccc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H24N4O3S/c1-16(17-9-5-4-6-10-17)25-24(29)19-13-18(14-20(15-19)28(2)32(3,30)31)23-26-21-11-7-8-12-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27)/t16-/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358934
PNG
(CHEMBL1923703)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H26N4O3S/c1-18(19-10-6-4-7-11-19)28-26(31)22-14-21(15-23(16-22)30(2)34(3,32)33)25-27-17-24(29-25)20-12-8-5-9-13-20/h4-18H,1-3H3,(H,27,29)(H,28,31)/t18-/m0/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358936
PNG
(CHEMBL1923705)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358933
PNG
(CHEMBL1923702)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H23FN4O3S/c1-15(16-7-5-4-6-8-16)26-24(30)18-11-17(12-20(13-18)29(2)33(3,31)32)23-27-21-10-9-19(25)14-22(21)28-23/h4-15H,1-3H3,(H,26,30)(H,27,28)/t15-/m0/s1
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n/an/a 2.13E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50358931
PNG
(CHEMBL1923700)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccccc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H24N4O3S/c1-16(17-9-5-4-6-10-17)25-24(29)19-13-18(14-20(15-19)28(2)32(3,30)31)23-26-21-11-7-8-12-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27)/t16-/m0/s1
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n/an/a 2.13E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50358939
PNG
(CHEMBL1923708)
Show SMILES COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C
Show InChI InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
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n/an/a 2.24E+3n/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis


J Med Chem 54: 8373-85 (2011)

Checked by Author
Article DOI: 10.1021/jm201181f
BindingDB Entry DOI: 10.7270/Q279453T
More data for this
Ligand-Target Pair
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