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PubMed code 20634069

Compile data set for download or QSAR
Found 42 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))		BDBM50323500
PNG
(CHEMBL1208999 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccsc1 |r|
Show InChI InChI=1S/C28H32F2N2O2S/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-8,11-13,15-16,18,26-27,31,34H,2-4,9-10,14,17H2,1H3,(H,32,33)/t26-,27+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50302841
PNG
(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r|
Show InChI InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))		BDBM50302838
PNG
(CHEMBL572081 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r|
Show InChI InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323493
PNG
(CHEMBL1209106 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 |r|
Show InChI InChI=1S/C28H36F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-7,12-13,15-16,22,26-27,31,34H,2-4,8-11,14,17-18H2,1H3,(H,32,33)/t22?,26-,27+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323511
PNG
(CHEMBL1209894 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)=C |r|
Show InChI InChI=1S/C27H34F2N2O2/c1-18(2)21-8-7-9-22(15-21)27(10-5-4-6-11-27)30-17-26(33)25(31-19(3)32)14-20-12-23(28)16-24(29)13-20/h7-9,12-13,15-16,25-26,30,33H,1,4-6,10-11,14,17H2,2-3H3,(H,31,32)/t25-,26+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323498
PNG
(CHEMBL1209055 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cscn1 |r|
Show InChI InChI=1S/C27H31F2N3O2S/c1-18(33)32-24(12-19-10-22(28)14-23(29)11-19)26(34)15-31-27(8-3-2-4-9-27)21-7-5-6-20(13-21)25-16-35-17-30-25/h5-7,10-11,13-14,16-17,24,26,31,34H,2-4,8-9,12,15H2,1H3,(H,32,33)/t24-,26+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323501
PNG
(CHEMBL1208998 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccoc1 |r|
Show InChI InChI=1S/C28H32F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-8,11-13,15-16,18,26-27,31,34H,2-4,9-10,14,17H2,1H3,(H,32,33)/t26-,27+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323509
PNG
(CHEMBL1208872 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CCC(C)(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
Show InChI InChI=1S/C29H40F2N2O2/c1-5-28(3,4)22-10-9-11-23(17-22)29(12-7-6-8-13-29)32-19-27(35)26(33-20(2)34)16-21-14-24(30)18-25(31)15-21/h9-11,14-15,17-18,26-27,32,35H,5-8,12-13,16,19H2,1-4H3,(H,33,34)/t26-,27+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323506
PNG
(CHEMBL1208933 | N-((2S,3R)-4-(1-(3-(2-cyanopropan-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C#N |r|
Show InChI InChI=1S/C28H35F2N3O2/c1-19(34)33-25(14-20-12-23(29)16-24(30)13-20)26(35)17-32-28(10-5-4-6-11-28)22-9-7-8-21(15-22)27(2,3)18-31/h7-9,12-13,15-16,25-26,32,35H,4-6,10-11,14,17H2,1-3H3,(H,33,34)/t25-,26+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323494
PNG
(CHEMBL1209105 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCO1 |r|
Show InChI InChI=1S/C28H36F2N2O3/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(10-3-2-4-11-28)22-8-5-7-21(16-22)27-9-6-12-35-27/h5,7-8,13-14,16-17,25-27,31,34H,2-4,6,9-12,15,18H2,1H3,(H,32,33)/t25-,26+,27?/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323486
PNG
(CHEMBL1209222 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCCC1=O |r|
Show InChI InChI=1S/C29H37F2N3O3/c1-20(35)33-26(16-21-14-23(30)18-24(31)15-21)27(36)19-32-29(11-4-2-5-12-29)22-8-7-9-25(17-22)34-13-6-3-10-28(34)37/h7-9,14-15,17-18,26-27,32,36H,2-6,10-13,16,19H2,1H3,(H,33,35)/t26-,27+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323504
PNG
(CHEMBL1208935 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)CO |r|
Show InChI InChI=1S/C28H38F2N2O3/c1-19(34)32-25(14-20-12-23(29)16-24(30)13-20)26(35)17-31-28(10-5-4-6-11-28)22-9-7-8-21(15-22)27(2,3)18-33/h7-9,12-13,15-16,25-26,31,33,35H,4-6,10-11,14,17-18H2,1-3H3,(H,32,34)/t25-,26+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323487
PNG
(CHEMBL1209221 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1C2CCC(C2)C1=O |r|
Show InChI InChI=1S/C30H37F2N3O3/c1-19(36)34-27(14-20-12-23(31)17-24(32)13-20)28(37)18-33-30(10-3-2-4-11-30)22-6-5-7-25(16-22)35-26-9-8-21(15-26)29(35)38/h5-7,12-13,16-17,21,26-28,33,37H,2-4,8-11,14-15,18H2,1H3,(H,34,36)/t21?,26?,27-,28+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323499
PNG
(CHEMBL1209054 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cccs1 |r|
Show InChI InChI=1S/C28H32F2N2O2S/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(10-3-2-4-11-28)22-8-5-7-21(16-22)27-9-6-12-35-27/h5-9,12-14,16-17,25-26,31,34H,2-4,10-11,15,18H2,1H3,(H,32,33)/t25-,26+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323510
PNG
(CHEMBL1208871 | N-((2S,3R)-4-(1-(3-((E)-but-2-en-2...)
Show SMILES C\C=C(/C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
Show InChI InChI=1S/C28H36F2N2O2/c1-4-19(2)22-9-8-10-23(16-22)28(11-6-5-7-12-28)31-18-27(34)26(32-20(3)33)15-21-13-24(29)17-25(30)14-21/h4,8-10,13-14,16-17,26-27,31,34H,5-7,11-12,15,18H2,1-3H3,(H,32,33)/b19-4+/t26-,27+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323507
PNG
(CHEMBL1208874 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CN(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
Show InChI InChI=1S/C26H35F2N3O2/c1-18(32)30-24(14-19-12-21(27)16-22(28)13-19)25(33)17-29-26(10-5-4-6-11-26)20-8-7-9-23(15-20)31(2)3/h7-9,12-13,15-16,24-25,29,33H,4-6,10-11,14,17H2,1-3H3,(H,30,32)/t24-,25+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323514
PNG
(CHEMBL1209892 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(I)c1 |r|
Show InChI InChI=1S/C24H29F2IN2O2/c1-16(30)29-22(12-17-10-19(25)14-20(26)11-17)23(31)15-28-24(8-3-2-4-9-24)18-6-5-7-21(27)13-18/h5-7,10-11,13-14,22-23,28,31H,2-4,8-9,12,15H2,1H3,(H,29,30)/t22-,23+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323482
PNG
(CHEMBL1209286 | N-((2S,3R)-4-(1-(3-(1,3-dioxepan-5...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOCOC1 |r|
Show InChI InChI=1S/C29H38F2N2O4/c1-20(34)33-27(14-21-12-25(30)16-26(31)13-21)28(35)17-32-29(9-3-2-4-10-29)24-7-5-6-22(15-24)23-8-11-36-19-37-18-23/h5-7,12-13,15-16,23,27-28,32,35H,2-4,8-11,14,17-19H2,1H3,(H,33,34)/t23?,27-,28+/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323479
PNG
(CHEMBL1209357 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1(C)CCCO1 |r|
Show InChI InChI=1S/C26H32F2N2O3/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(8-9-26)20-6-3-5-19(14-20)25(2)7-4-10-33-25/h3,5-6,11-12,14-15,23-24,29,32H,4,7-10,13,16H2,1-2H3,(H,30,31)/t23-,24+,25?/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323480
PNG
(CHEMBL1209356 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCCO1 |r|
Show InChI InChI=1S/C25H30F2N2O3/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(7-8-25)19-5-2-4-18(13-19)24-6-3-9-32-24/h2,4-5,10-11,13-14,22-24,28,31H,3,6-9,12,15H2,1H3,(H,29,30)/t22-,23+,24?/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323512
PNG
(CHEMBL1209893 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CCc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
Show InChI InChI=1S/C26H34F2N2O2/c1-3-19-8-7-9-21(12-19)26(10-5-4-6-11-26)29-17-25(32)24(30-18(2)31)15-20-13-22(27)16-23(28)14-20/h7-9,12-14,16,24-25,29,32H,3-6,10-11,15,17H2,1-2H3,(H,30,31)/t24-,25+/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323481
PNG
(CHEMBL1209355 | N-((2S,3R)-4-(1-(3-(1,4-oxazepan-4...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1 |r|
Show InChI InChI=1S/C29H39F2N3O3/c1-21(35)33-27(17-22-15-24(30)19-25(31)16-22)28(36)20-32-29(9-3-2-4-10-29)23-7-5-8-26(18-23)34-11-6-13-37-14-12-34/h5,7-8,15-16,18-19,27-28,32,36H,2-4,6,9-14,17,20H2,1H3,(H,33,35)/t27-,28+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323503
PNG
(CHEMBL1208936 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C25H32F2N2O4S/c1-17(30)29-23(13-18-11-20(26)15-21(27)12-18)24(31)16-28-25(9-4-3-5-10-25)19-7-6-8-22(14-19)34(2,32)33/h6-8,11-12,14-15,23-24,28,31H,3-5,9-10,13,16H2,1-2H3,(H,29,30)/t23-,24+/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323483
PNG
(CHEMBL1209285 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1=O |r|
Show InChI InChI=1S/C29H37F2N3O4/c1-20(35)33-26(15-21-13-23(30)17-24(31)14-21)27(36)18-32-29(9-3-2-4-10-29)22-7-5-8-25(16-22)34-11-6-12-38-19-28(34)37/h5,7-8,13-14,16-17,26-27,32,36H,2-4,6,9-12,15,18-19H2,1H3,(H,33,35)/t26-,27+/m0/s1
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n/an/a 750n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323489
PNG
(CHEMBL1209167 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCC1=O |r|
Show InChI InChI=1S/C29H36F2N2O3/c1-19(34)33-26(15-20-13-23(30)17-24(31)14-20)28(36)18-32-29(11-3-2-4-12-29)22-8-5-7-21(16-22)25-9-6-10-27(25)35/h5,7-8,13-14,16-17,25-26,28,32,36H,2-4,6,9-12,15,18H2,1H3,(H,33,34)/t25?,26-,28+/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323508
PNG
(CHEMBL1208873 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(C)Cc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
Show InChI InChI=1S/C28H38F2N2O2/c1-19(2)12-21-8-7-9-23(13-21)28(10-5-4-6-11-28)31-18-27(34)26(32-20(3)33)16-22-14-24(29)17-25(30)15-22/h7-9,13-15,17,19,26-27,31,34H,4-6,10-12,16,18H2,1-3H3,(H,32,33)/t26-,27+/m0/s1
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n/an/a 810n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323492
PNG
(CHEMBL1209107 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCC1=O |r|
Show InChI InChI=1S/C28H35F2N3O3/c1-19(34)32-25(15-20-13-22(29)17-23(30)14-20)26(35)18-31-28(10-3-2-4-11-28)21-7-5-8-24(16-21)33-12-6-9-27(33)36/h5,7-8,13-14,16-17,25-26,31,35H,2-4,6,9-12,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323495
PNG
(CHEMBL1209104 | N-((2S,3R)-4-(1-(3-cyclopentylphen...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCC1 |r|
Show InChI InChI=1S/C29H38F2N2O2/c1-20(34)33-27(16-21-14-25(30)18-26(31)15-21)28(35)19-32-29(12-5-2-6-13-29)24-11-7-10-23(17-24)22-8-3-4-9-22/h7,10-11,14-15,17-18,22,27-28,32,35H,2-6,8-9,12-13,16,19H2,1H3,(H,33,34)/t27-,28+/m0/s1
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n/an/a 940n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323484
PNG
(CHEMBL1209284 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCNC1=O |r|
Show InChI InChI=1S/C28H36F2N4O3/c1-19(35)33-25(15-20-13-22(29)17-23(30)14-20)26(36)18-32-28(9-3-2-4-10-28)21-7-5-8-24(16-21)34-12-6-11-31-27(34)37/h5,7-8,13-14,16-17,25-26,32,36H,2-4,6,9-12,15,18H2,1H3,(H,31,37)(H,33,35)/t25-,26+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323502
PNG
(CHEMBL1208997 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccco1 |r|
Show InChI InChI=1S/C28H32F2N2O3/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(10-3-2-4-11-28)22-8-5-7-21(16-22)27-9-6-12-35-27/h5-9,12-14,16-17,25-26,31,34H,2-4,10-11,15,18H2,1H3,(H,32,33)/t25-,26+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323485
PNG
(CHEMBL1209223 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCOCC1=O |r|
Show InChI InChI=1S/C28H35F2N3O4/c1-19(34)32-25(14-20-12-22(29)16-23(30)13-20)26(35)17-31-28(8-3-2-4-9-28)21-6-5-7-24(15-21)33-10-11-37-18-27(33)36/h5-7,12-13,15-16,25-26,31,35H,2-4,8-11,14,17-18H2,1H3,(H,32,34)/t25-,26+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323491
PNG
(CHEMBL1209165 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCOC1=O |r|
Show InChI InChI=1S/C27H33F2N3O4/c1-18(33)31-24(14-19-12-21(28)16-22(29)13-19)25(34)17-30-27(8-3-2-4-9-27)20-6-5-7-23(15-20)32-10-11-36-26(32)35/h5-7,12-13,15-16,24-25,30,34H,2-4,8-11,14,17H2,1H3,(H,31,33)/t24-,25+/m0/s1
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Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323490
PNG
(CHEMBL1209166 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCNC1=O |r|
Show InChI InChI=1S/C27H34F2N4O3/c1-18(34)32-24(14-19-12-21(28)16-22(29)13-19)25(35)17-31-27(8-3-2-4-9-27)20-6-5-7-23(15-20)33-11-10-30-26(33)36/h5-7,12-13,15-16,24-25,31,35H,2-4,8-11,14,17H2,1H3,(H,30,36)(H,32,34)/t24-,25+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323497
PNG
(CHEMBL1209056 | N-((2S,3R)-4-(1-(3-(1H-imidazol-1-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1ccnc1 |r|
Show InChI InChI=1S/C27H32F2N4O2/c1-19(34)32-25(14-20-12-22(28)16-23(29)13-20)26(35)17-31-27(8-3-2-4-9-27)21-6-5-7-24(15-21)33-11-10-30-18-33/h5-7,10-13,15-16,18,25-26,31,35H,2-4,8-9,14,17H2,1H3,(H,32,34)/t25-,26+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323478
PNG
(CHEMBL1209358 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCCCO1 |r|
Show InChI InChI=1S/C26H32F2N2O3/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(8-9-26)20-6-4-5-19(14-20)25-7-2-3-10-33-25/h4-6,11-12,14-15,23-25,29,32H,2-3,7-10,13,16H2,1H3,(H,30,31)/t23-,24+,25?/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323475
PNG
(CHEMBL1209420 | N-((2S,3R)-4-(1-(3-(2-azabicyclo[2...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CCC1C2 |r|
Show InChI InChI=1S/C27H33F2N3O2/c1-17(33)31-25(12-19-9-21(28)14-22(29)10-19)26(34)15-30-27(7-8-27)20-3-2-4-23(13-20)32-16-18-5-6-24(32)11-18/h2-4,9-10,13-14,18,24-26,30,34H,5-8,11-12,15-16H2,1H3,(H,31,33)/t18?,24?,25-,26+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323476
PNG
(CHEMBL1209419 | N-((2S,3R)-4-(1-(3-(2-oxa-5-azabic...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CC1CO2 |r|
Show InChI InChI=1S/C26H31F2N3O3/c1-16(32)30-24(9-17-7-19(27)11-20(28)8-17)25(33)13-29-26(5-6-26)18-3-2-4-21(10-18)31-14-23-12-22(31)15-34-23/h2-4,7-8,10-11,22-25,29,33H,5-6,9,12-15H2,1H3,(H,30,32)/t22?,23?,24-,25+/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323477
PNG
(CHEMBL1209418 | N-((2S,3R)-4-(1-(3-(1,4-dioxan-2-y...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1COCCO1 |r|
Show InChI InChI=1S/C25H30F2N2O4/c1-16(30)29-22(11-17-9-20(26)13-21(27)10-17)23(31)14-28-25(5-6-25)19-4-2-3-18(12-19)24-15-32-7-8-33-24/h2-4,9-10,12-13,22-24,28,31H,5-8,11,14-15H2,1H3,(H,29,30)/t22-,23+,24?/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323505
PNG
(CHEMBL1208934 | N-((2S,3R)-4-(1-(3-cyanophenyl)cyc...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C25H29F2N3O2/c1-17(31)30-23(13-19-11-21(26)14-22(27)12-19)24(32)16-29-25(8-3-2-4-9-25)20-7-5-6-18(10-20)15-28/h5-7,10-12,14,23-24,29,32H,2-4,8-9,13,16H2,1H3,(H,30,31)/t23-,24+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323496
PNG
(CHEMBL1209057 | N-((2S,3R)-4-(1-(3-(2H-1,2,3-triaz...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1nccn1 |r|
Show InChI InChI=1S/C26H31F2N5O2/c1-18(34)32-24(14-19-12-21(27)16-22(28)13-19)25(35)17-29-26(8-3-2-4-9-26)20-6-5-7-23(15-20)33-30-10-11-31-33/h5-7,10-13,15-16,24-25,29,35H,2-4,8-9,14,17H2,1H3,(H,32,34)/t24-,25+/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323513
PNG
(CHEMBL1208803 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H30F2N2O2/c1-17(29)28-22(14-18-12-20(25)15-21(26)13-18)23(30)16-27-24(10-6-3-7-11-24)19-8-4-2-5-9-19/h2,4-5,8-9,12-13,15,22-23,27,30H,3,6-7,10-11,14,16H2,1H3,(H,28,29)/t22-,23+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323488
PNG
(CHEMBL1209168 | N-((2S,3R)-4-(1-(3-cyclohexylpheny...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCCC1 |r|
Show InChI InChI=1S/C30H40F2N2O2/c1-21(35)34-28(17-22-15-26(31)19-27(32)16-22)29(36)20-33-30(13-6-3-7-14-30)25-12-8-11-24(18-25)23-9-4-2-5-10-23/h8,11-12,15-16,18-19,23,28-29,33,36H,2-7,9-10,13-14,17,20H2,1H3,(H,34,35)/t28-,29+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%