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PubMed code 22044119

Compile data set for download or QSAR
Found 84 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 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
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
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
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
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
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
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 (BACE2)


(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
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 (BACE2)


(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
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 (BACE2)


(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
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 (BACE2)


(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
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 (BACE2)


(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
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 (BACE2)


(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
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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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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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 (BACE2)


(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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2.81E+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 (BACE2)


(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 (BACE2)


(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 (BACE2)


(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 (BACE2)


(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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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 (BACE2)


(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 (BACE2)


(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 (BACE2)


(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 (BACE2)


(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 (BACE2)


(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
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
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
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
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
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
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 (BACE2)


(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
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 (BACE2)


(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
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 (BACE2)


(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
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 (BACE2)


(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
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
Beta-secretase 2 (BACE2)


(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
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 2.35E+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 (BACE2)


(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
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 2.43E+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))
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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n/an/a 2.48E+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 (BACE2)


(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 2.90E+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 (BACE2)


(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 3.17E+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 (BACE2)


(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 3.32E+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 (BACE2)


(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 3.68E+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 (BACE2)


(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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n/an/a 3.73E+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 (BACE2)


(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 3.79E+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 (BACE2)


(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 3.89E+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 (BACE2)


(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 4.12E+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 (BACE2)


(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 4.23E+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))
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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n/an/a 5.51E+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 (BACE2)


(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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n/an/a 5.68E+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))
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/an/an/a 37n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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/an/an/a 120n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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/an/an/a 1.55E+3n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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/an/an/a 30n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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/an/an/a 310n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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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University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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/an/an/a 930n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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
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/an/an/a 230n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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
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/an/an/a 450n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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/an/an/a 930n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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/an/an/a 120n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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/an/an/a 37n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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
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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University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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/an/an/a 2.41E+3n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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
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/an/an/a 230n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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/an/an/a 310n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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/an/an/a 2.41E+3n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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
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/an/an/a 179n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...


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
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/an/an/a 179n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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/an/an/a 1.55E+3n/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...


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
* indicates data uncertainty>20%