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PubMed code 18171614

Compile data set for download or QSAR
Found 63 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))
BDBM50231682
PNG
(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373809
PNG
(CHEMBL256399)
Show SMILES CCCCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C35H50N4O5/c1-3-4-11-19-44-30-22-27(21-29(23-30)39-18-12-17-33(39)41)35(43)38-31(20-26-13-7-5-8-14-26)32(40)24-36-25(2)34(42)37-28-15-9-6-10-16-28/h5,7-8,13-14,21-23,25,28,31-32,36,40H,3-4,6,9-12,15-20,24H2,1-2H3,(H,37,42)(H,38,43)/t25-,31-,32+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373806
PNG
(CHEMBL227053)
Show SMILES CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373810
PNG
(CHEMBL258068)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373804
PNG
(CHEMBL257871)
Show SMILES CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373800
PNG
(CHEMBL255977)
Show SMILES CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-22(2)42-28-19-25(18-27(20-28)37-16-10-15-31(37)39)33(41)36-29(17-24-11-6-4-7-12-24)30(38)21-34-23(3)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34,38H,5,8-10,13-17,21H2,1-3H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373805
PNG
(CHEMBL255964)
Show SMILES CC(C)CNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C34H49N5O4/c1-23(2)21-36-28-18-26(19-29(20-28)39-16-10-15-32(39)41)34(43)38-30(17-25-11-6-4-7-12-25)31(40)22-35-24(3)33(42)37-27-13-8-5-9-14-27/h4,6-7,11-12,18-20,23-24,27,30-31,35-36,40H,5,8-10,13-17,21-22H2,1-3H3,(H,37,42)(H,38,43)/t24-,30-,31+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373806
PNG
(CHEMBL227053)
Show SMILES CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231682
PNG
(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373806
PNG
(CHEMBL227053)
Show SMILES CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231682
PNG
(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373809
PNG
(CHEMBL256399)
Show SMILES CCCCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C35H50N4O5/c1-3-4-11-19-44-30-22-27(21-29(23-30)39-18-12-17-33(39)41)35(43)38-31(20-26-13-7-5-8-14-26)32(40)24-36-25(2)34(42)37-28-15-9-6-10-16-28/h5,7-8,13-14,21-23,25,28,31-32,36,40H,3-4,6,9-12,15-20,24H2,1-2H3,(H,37,42)(H,38,43)/t25-,31-,32+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373809
PNG
(CHEMBL256399)
Show SMILES CCCCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C35H50N4O5/c1-3-4-11-19-44-30-22-27(21-29(23-30)39-18-12-17-33(39)41)35(43)38-31(20-26-13-7-5-8-14-26)32(40)24-36-25(2)34(42)37-28-15-9-6-10-16-28/h5,7-8,13-14,21-23,25,28,31-32,36,40H,3-4,6,9-12,15-20,24H2,1-2H3,(H,37,42)(H,38,43)/t25-,31-,32+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373812
PNG
(CHEMBL402305)
Show SMILES CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C31H45N3O5S/c1-3-4-11-19-40(38,39)27-18-12-15-25(21-27)31(37)34-28(20-24-13-7-5-8-14-24)29(35)22-32-23(2)30(36)33-26-16-9-6-10-17-26/h5,7-8,12-15,18,21,23,26,28-29,32,35H,3-4,6,9-11,16-17,19-20,22H2,1-2H3,(H,33,36)(H,34,37)/t23-,28-,29+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373807
PNG
(CHEMBL272714)
Show SMILES CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,19-21,23,26,29-30,34,38H,3,5,8-10,13-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373805
PNG
(CHEMBL255964)
Show SMILES CC(C)CNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C34H49N5O4/c1-23(2)21-36-28-18-26(19-29(20-28)39-16-10-15-32(39)41)34(43)38-30(17-25-11-6-4-7-12-25)31(40)22-35-24(3)33(42)37-27-13-8-5-9-14-27/h4,6-7,11-12,18-20,23-24,27,30-31,35-36,40H,5,8-10,13-17,21-22H2,1-3H3,(H,37,42)(H,38,43)/t24-,30-,31+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373804
PNG
(CHEMBL257871)
Show SMILES CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 690n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373811
PNG
(CHEMBL258277)
Show SMILES COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C31H42N4O5/c1-21(30(38)33-24-12-7-4-8-13-24)32-20-28(36)27(16-22-10-5-3-6-11-22)34-31(39)23-17-25(19-26(18-23)40-2)35-15-9-14-29(35)37/h3,5-6,10-11,17-19,21,24,27-28,32,36H,4,7-9,12-16,20H2,1-2H3,(H,33,38)(H,34,39)/t21-,27-,28+/m0/s1
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n/an/a 745n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373806
PNG
(CHEMBL227053)
Show SMILES CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1
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n/an/a 830n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373799
PNG
(CHEMBL255192)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)N1CCCC1=O)N1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C34H47N5O4/c1-24(33(42)36-27-13-6-3-7-14-27)35-23-31(40)30(19-25-11-4-2-5-12-25)37-34(43)26-20-28(38-16-8-9-17-38)22-29(21-26)39-18-10-15-32(39)41/h2,4-5,11-12,20-22,24,27,30-31,35,40H,3,6-10,13-19,23H2,1H3,(H,36,42)(H,37,43)/t24-,30-,31+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373810
PNG
(CHEMBL258068)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1
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n/an/a 970n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373804
PNG
(CHEMBL257871)
Show SMILES CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 990n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373800
PNG
(CHEMBL255977)
Show SMILES CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-22(2)42-28-19-25(18-27(20-28)37-16-10-15-31(37)39)33(41)36-29(17-24-11-6-4-7-12-24)30(38)21-34-23(3)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34,38H,5,8-10,13-17,21H2,1-3H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373800
PNG
(CHEMBL255977)
Show SMILES CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-22(2)42-28-19-25(18-27(20-28)37-16-10-15-31(37)39)33(41)36-29(17-24-11-6-4-7-12-24)30(38)21-34-23(3)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34,38H,5,8-10,13-17,21H2,1-3H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373807
PNG
(CHEMBL272714)
Show SMILES CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,19-21,23,26,29-30,34,38H,3,5,8-10,13-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373810
PNG
(CHEMBL258068)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 42 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373808
PNG
(CHEMBL403533)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1
Show InChI InChI=1S/C32H46N4O4/c1-3-40-28-20-25(19-27(21-28)36-16-10-11-17-36)32(39)35-29(18-24-12-6-4-7-13-24)30(37)22-33-23(2)31(38)34-26-14-8-5-9-15-26/h4,6-7,12-13,19-21,23,26,29-30,33,37H,3,5,8-11,14-18,22H2,1-2H3,(H,34,38)(H,35,39)/t23-,29-,30+/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373804
PNG
(CHEMBL257871)
Show SMILES CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373807
PNG
(CHEMBL272714)
Show SMILES CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,19-21,23,26,29-30,34,38H,3,5,8-10,13-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in SHSY5Y cells assessed as reduction of amyloid beta 40 production


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373812
PNG
(CHEMBL402305)
Show SMILES CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C31H45N3O5S/c1-3-4-11-19-40(38,39)27-18-12-15-25(21-27)31(37)34-28(20-24-13-7-5-8-14-24)29(35)22-32-23(2)30(36)33-26-16-9-6-10-17-26/h5,7-8,12-15,18,21,23,26,28-29,32,35H,3-4,6,9-11,16-17,19-20,22H2,1-2H3,(H,33,36)(H,34,37)/t23-,28-,29+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 2


(Homo sapiens (Human))
BDBM50231682
PNG
(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
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n/an/a 1.81E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373813
PNG
(CHEMBL271437)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCS1(=O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H40N4O5S/c1-21(28(35)31-24-13-6-3-7-14-24)30-20-27(34)26(18-22-10-4-2-5-11-22)32-29(36)23-12-8-15-25(19-23)33-16-9-17-39(33,37)38/h2,4-5,8,10-12,15,19,21,24,26-27,30,34H,3,6-7,9,13-14,16-18,20H2,1H3,(H,31,35)(H,32,36)/t21-,26-,27+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50231682
PNG
(CHEMBL251862 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H45N5O4/c1-3-33-26-18-24(19-27(20-26)37-16-10-15-30(37)39)32(41)36-28(17-23-11-6-4-7-12-23)29(38)21-34-22(2)31(40)35-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33-34,38H,3,5,8-10,13-17,21H2,1-2H3,(H,35,40)(H,36,41)/t22-,28-,29+/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373805
PNG
(CHEMBL255964)
Show SMILES CC(C)CNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C34H49N5O4/c1-23(2)21-36-28-18-26(19-29(20-28)39-16-10-15-32(39)41)34(43)38-30(17-25-11-6-4-7-12-25)31(40)22-35-24(3)33(42)37-27-13-8-5-9-14-27/h4,6-7,11-12,18-20,23-24,27,30-31,35-36,40H,5,8-10,13-17,21-22H2,1-3H3,(H,37,42)(H,38,43)/t24-,30-,31+/m0/s1
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n/an/a 3.09E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373812
PNG
(CHEMBL402305)
Show SMILES CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C31H45N3O5S/c1-3-4-11-19-40(38,39)27-18-12-15-25(21-27)31(37)34-28(20-24-13-7-5-8-14-24)29(35)22-32-23(2)30(36)33-26-16-9-6-10-17-26/h5,7-8,12-15,18,21,23,26,28-29,32,35H,3-4,6,9-11,16-17,19-20,22H2,1-2H3,(H,33,36)(H,34,37)/t23-,28-,29+/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373804
PNG
(CHEMBL257871)
Show SMILES CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 4.57E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373800
PNG
(CHEMBL255977)
Show SMILES CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-22(2)42-28-19-25(18-27(20-28)37-16-10-15-31(37)39)33(41)36-29(17-24-11-6-4-7-12-24)30(38)21-34-23(3)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34,38H,5,8-10,13-17,21H2,1-3H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 4.79E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373810
PNG
(CHEMBL258068)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1
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n/an/a 5.13E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50322878
PNG
(CHEMBL271230 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCC1=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C30H40N4O4/c1-21(29(37)32-24-13-6-3-7-14-24)31-20-27(35)26(18-22-10-4-2-5-11-22)33-30(38)23-12-8-15-25(19-23)34-17-9-16-28(34)36/h2,4-5,8,10-12,15,19,21,24,26-27,31,35H,3,6-7,9,13-14,16-18,20H2,1H3,(H,32,37)(H,33,38)/t21-,26-,27+/m0/s1
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n/an/a 5.27E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50231691
PNG
(CHEMBL402120 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25+/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373806
PNG
(CHEMBL227053)
Show SMILES CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H47N5O4/c1-22(2)35-27-18-25(19-28(20-27)38-16-10-15-31(38)40)33(42)37-29(17-24-11-6-4-7-12-24)30(39)21-34-23(3)32(41)36-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34-35,39H,5,8-10,13-17,21H2,1-3H3,(H,36,41)(H,37,42)/t23-,29-,30+/m0/s1
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n/an/a 5.41E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373808
PNG
(CHEMBL403533)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1
Show InChI InChI=1S/C32H46N4O4/c1-3-40-28-20-25(19-27(21-28)36-16-10-11-17-36)32(39)35-29(18-24-12-6-4-7-13-24)30(37)22-33-23(2)31(38)34-26-14-8-5-9-15-26/h4,6-7,12-13,19-21,23,26,29-30,33,37H,3,5,8-11,14-18,22H2,1-2H3,(H,34,38)(H,35,39)/t23-,29-,30+/m0/s1
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n/an/a 6.17E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50231691
PNG
(CHEMBL402120 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25+/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373810
PNG
(CHEMBL258068)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C32H44N4O5/c1-3-41-27-19-24(18-26(20-27)36-16-10-15-30(36)38)32(40)35-28(17-23-11-6-4-7-12-23)29(37)21-33-22(2)31(39)34-25-13-8-5-9-14-25/h4,6-7,11-12,18-20,22,25,28-29,33,37H,3,5,8-10,13-17,21H2,1-2H3,(H,34,39)(H,35,40)/t22-,28-,29+/m0/s1
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n/an/a 7.94E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373807
PNG
(CHEMBL272714)
Show SMILES CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,19-21,23,26,29-30,34,38H,3,5,8-10,13-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 8.24E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373799
PNG
(CHEMBL255192)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)N1CCCC1=O)N1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C34H47N5O4/c1-24(33(42)36-27-13-6-3-7-14-27)35-23-31(40)30(19-25-11-4-2-5-12-25)37-34(43)26-20-28(38-16-8-9-17-38)22-29(21-26)39-18-10-15-32(39)41/h2,4-5,11-12,20-22,24,27,30-31,35,40H,3,6-10,13-19,23H2,1H3,(H,36,42)(H,37,43)/t24-,30-,31+/m0/s1
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n/an/a 8.79E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373799
PNG
(CHEMBL255192)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)N1CCCC1=O)N1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C34H47N5O4/c1-24(33(42)36-27-13-6-3-7-14-27)35-23-31(40)30(19-25-11-4-2-5-12-25)37-34(43)26-20-28(38-16-8-9-17-38)22-29(21-26)39-18-10-15-32(39)41/h2,4-5,11-12,20-22,24,27,30-31,35,40H,3,6-10,13-19,23H2,1H3,(H,36,42)(H,37,43)/t24-,30-,31+/m0/s1
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n/an/a 9.28E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373813
PNG
(CHEMBL271437)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCS1(=O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H40N4O5S/c1-21(28(35)31-24-13-6-3-7-14-24)30-20-27(34)26(18-22-10-4-2-5-11-22)32-29(36)23-12-8-15-25(19-23)33-16-9-17-39(33,37)38/h2,4-5,8,10-12,15,19,21,24,26-27,30,34H,3,6-7,9,13-14,16-18,20H2,1H3,(H,31,35)(H,32,36)/t21-,26-,27+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373800
PNG
(CHEMBL255977)
Show SMILES CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-22(2)42-28-19-25(18-27(20-28)37-16-10-15-31(37)39)33(41)36-29(17-24-11-6-4-7-12-24)30(38)21-34-23(3)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,18-20,22-23,26,29-30,34,38H,5,8-10,13-17,21H2,1-3H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373808
PNG
(CHEMBL403533)
Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1
Show InChI InChI=1S/C32H46N4O4/c1-3-40-28-20-25(19-27(21-28)36-16-10-11-17-36)32(39)35-29(18-24-12-6-4-7-13-24)30(37)22-33-23(2)31(38)34-26-14-8-5-9-15-26/h4,6-7,12-13,19-21,23,26,29-30,33,37H,3,5,8-11,14-18,22H2,1-2H3,(H,34,38)(H,35,39)/t23-,29-,30+/m0/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373813
PNG
(CHEMBL271437)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCS1(=O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H40N4O5S/c1-21(28(35)31-24-13-6-3-7-14-24)30-20-27(34)26(18-22-10-4-2-5-11-22)32-29(36)23-12-8-15-25(19-23)33-16-9-17-39(33,37)38/h2,4-5,8,10-12,15,19,21,24,26-27,30,34H,3,6-7,9,13-14,16-18,20H2,1H3,(H,31,35)(H,32,36)/t21-,26-,27+/m0/s1
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n/an/a>2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50322878
PNG
(CHEMBL271230 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCC1=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C30H40N4O4/c1-21(29(37)32-24-13-6-3-7-14-24)31-20-27(35)26(18-22-10-4-2-5-11-22)33-30(38)23-12-8-15-25(19-23)34-17-9-16-28(34)36/h2,4-5,8,10-12,15,19,21,24,26-27,31,35H,3,6-7,9,13-14,16-18,20H2,1H3,(H,32,37)(H,33,38)/t21-,26-,27+/m0/s1
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n/an/a 2.56E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373811
PNG
(CHEMBL258277)
Show SMILES COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C31H42N4O5/c1-21(30(38)33-24-12-7-4-8-13-24)32-20-28(36)27(16-22-10-5-3-6-11-22)34-31(39)23-17-25(19-26(18-23)40-2)35-15-9-14-29(35)37/h3,5-6,10-11,17-19,21,24,27-28,32,36H,4,7-9,12-16,20H2,1-2H3,(H,33,38)(H,34,39)/t21-,27-,28+/m0/s1
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n/an/a 2.86E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373811
PNG
(CHEMBL258277)
Show SMILES COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C31H42N4O5/c1-21(30(38)33-24-12-7-4-8-13-24)32-20-28(36)27(16-22-10-5-3-6-11-22)34-31(39)23-17-25(19-26(18-23)40-2)35-15-9-14-29(35)37/h3,5-6,10-11,17-19,21,24,27-28,32,36H,4,7-9,12-16,20H2,1-2H3,(H,33,38)(H,34,39)/t21-,27-,28+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50231691
PNG
(CHEMBL402120 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25+/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373807
PNG
(CHEMBL272714)
Show SMILES CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
Show InChI InChI=1S/C33H46N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,11-12,19-21,23,26,29-30,34,38H,3,5,8-10,13-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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n/an/a 4.71E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373801
PNG
(CHEMBL271231)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H38N4O4/c1-19(27(35)31-23-11-7-4-8-12-23)29-18-26(34)25(17-21-9-5-3-6-10-21)32-28(36)22-13-15-24(16-14-22)30-20(2)33/h3,5-6,9-10,13-16,19,23,25-26,29,34H,4,7-8,11-12,17-18H2,1-2H3,(H,30,33)(H,31,35)(H,32,36)/t19-,25-,26+/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50322878
PNG
(CHEMBL271230 | N-((2S,3R)-4-((S)-1-(cyclohexylamin...)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCC1=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C30H40N4O4/c1-21(29(37)32-24-13-6-3-7-14-24)31-20-27(35)26(18-22-10-4-2-5-11-22)33-30(38)23-12-8-15-25(19-23)34-17-9-16-28(34)36/h2,4-5,8,10-12,15,19,21,24,26-27,31,35H,3,6-7,9,13-14,16-18,20H2,1H3,(H,32,37)(H,33,38)/t21-,26-,27+/m0/s1
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n/an/a 7.85E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50373801
PNG
(CHEMBL271231)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H38N4O4/c1-19(27(35)31-23-11-7-4-8-12-23)29-18-26(34)25(17-21-9-5-3-6-10-21)32-28(36)22-13-15-24(16-14-22)30-20(2)33/h3,5-6,9-10,13-16,19,23,25-26,29,34H,4,7-8,11-12,17-18H2,1-2H3,(H,30,33)(H,31,35)(H,32,36)/t19-,25-,26+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50373801
PNG
(CHEMBL271231)
Show SMILES C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H38N4O4/c1-19(27(35)31-23-11-7-4-8-12-23)29-18-26(34)25(17-21-9-5-3-6-10-21)32-28(36)22-13-15-24(16-14-22)30-20(2)33/h3,5-6,9-10,13-16,19,23,25-26,29,34H,4,7-8,11-12,17-18H2,1-2H3,(H,30,33)(H,31,35)(H,32,36)/t19-,25-,26+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE2


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373798
PNG
(CHEMBL403087)
Show SMILES C[C@H](N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H39N3O5S/c1-20(27(33)29-23-14-8-5-9-15-23)31(2)19-26(32)25(17-21-11-6-4-7-12-21)30-28(34)22-13-10-16-24(18-22)37(3,35)36/h4,6-7,10-13,16,18,20,23,25-26,32H,5,8-9,14-15,17,19H2,1-3H3,(H,29,33)(H,30,34)/t20-,25-,26+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373802
PNG
(CHEMBL256581)
Show SMILES C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C27H37N3O5S/c1-19(26(32)29-22-13-7-4-8-14-22)28-18-25(31)24(16-20-10-5-3-6-11-20)30-27(33)21-12-9-15-23(17-21)36(2,34)35/h3,5-6,9-12,15,17,19,22,24-25,28,31H,4,7-8,13-14,16,18H2,1-2H3,(H,29,32)(H,30,33)/t19-,24-,25-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50373803
PNG
(CHEMBL256162)
Show SMILES CC(C)C[C@H](NC(=O)c1cccc(c1)S(C)(=O)=O)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H39N3O5S/c1-16(2)13-21(27-24(30)18-9-8-12-20(14-18)33(4,31)32)22(28)15-25-17(3)23(29)26-19-10-6-5-7-11-19/h8-9,12,14,16-17,19,21-22,25,28H,5-7,10-11,13,15H2,1-4H3,(H,26,29)(H,27,30)/t17-,21-,22+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


Bioorg Med Chem Lett 18: 1011-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.017
BindingDB Entry DOI: 10.7270/Q2PG1SK5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%