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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'bakshi' and Initial = 'p'   
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
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50143457
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2S,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157581
PNG
((S)-methyl 2-((S)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29-,30+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50143453
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2S,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157595
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3S)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29+,30+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157573
PNG
((S)-methyl 2-((R)-2-(3-benzyl-3-((2R,3S)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29+,30-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157596
PNG
((R)-methyl 2-((S)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29-,30-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157572
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29-,30-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157580
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157590
PNG
((S)-tert-butyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(te...)
Show SMILES CC(C)C[C@H](NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C38H58N4O7/c1-25(2)21-30(33(44)41-32(26(3)4)34(45)48-37(5,6)7)39-35(46)42(23-28-19-15-12-16-20-28)24-31(43)29(22-27-17-13-11-14-18-27)40-36(47)49-38(8,9)10/h11-20,25-26,29-32,43H,21-24H2,1-10H3,(H,39,46)(H,40,47)(H,41,44)/t29-,30-,31+,32-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157579
PNG
((R)-tert-butyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(te...)
Show SMILES CC(C)C[C@H](NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C39H60N4O7/c1-26(2)21-31(34(45)40-32(22-27(3)4)35(46)49-38(5,6)7)41-36(47)43(24-29-19-15-12-16-20-29)25-33(44)30(23-28-17-13-11-14-18-28)42-37(48)50-39(8,9)10/h11-20,26-27,30-33,44H,21-25H2,1-10H3,(H,40,45)(H,41,47)(H,42,48)/t30-,31-,32+,33+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50143457
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2S,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157581
PNG
((S)-methyl 2-((S)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29-,30+/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50143457
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2S,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50143453
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2S,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157586
PNG
((S)-tert-butyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(te...)
Show SMILES CC(C)C[C@@H](NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C39H60N4O7/c1-26(2)21-31(34(45)40-32(22-27(3)4)35(46)49-38(5,6)7)41-36(47)43(24-29-19-15-12-16-20-29)25-33(44)30(23-28-17-13-11-14-18-28)42-37(48)50-39(8,9)10/h11-20,26-27,30-33,44H,21-25H2,1-10H3,(H,40,45)(H,41,47)(H,42,48)/t30-,31-,32+,33-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50143453
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2S,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157589
PNG
((R)-methyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157595
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3S)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29+,30+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157578
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C39H52N4O7/c1-27(2)22-32(35(45)40-33(36(46)49-6)24-29-18-12-8-13-19-29)41-37(47)43(25-30-20-14-9-15-21-30)26-34(44)31(23-28-16-10-7-11-17-28)42-38(48)50-39(3,4)5/h7-21,27,31-34,44H,22-26H2,1-6H3,(H,40,45)(H,41,47)(H,42,48)/t31-,32-,33-,34-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157573
PNG
((S)-methyl 2-((R)-2-(3-benzyl-3-((2R,3S)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29+,30-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157594
PNG
((S)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29-,30+/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157596
PNG
((R)-methyl 2-((S)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28+,29-,30-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157591
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-((R)-2-...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C41H63N5O8/c1-26(2)21-32(37(49)45-35(28(5)6)38(50)53-10)43-39(51)46(24-30-19-15-12-16-20-30)25-34(47)31(23-29-17-13-11-14-18-29)42-36(48)33(22-27(3)4)44-40(52)54-41(7,8)9/h11-20,26-28,31-35,47H,21-25H2,1-10H3,(H,42,48)(H,43,51)(H,44,52)(H,45,49)/t31-,32-,33-,34-,35-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157589
PNG
((R)-methyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157591
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-((R)-2-...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C41H63N5O8/c1-26(2)21-32(37(49)45-35(28(5)6)38(50)53-10)43-39(51)46(24-30-19-15-12-16-20-30)25-34(47)31(23-29-17-13-11-14-18-29)42-36(48)33(22-27(3)4)44-40(52)54-41(7,8)9/h11-20,26-28,31-35,47H,21-25H2,1-10H3,(H,42,48)(H,43,51)(H,44,52)(H,45,49)/t31-,32-,33-,34-,35-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157577
PNG
((R)-methyl 2-((R)-2-(3-((2R,3R)-3-(tert-butoxycarb...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(CC(C)C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C32H54N4O7/c1-20(2)16-25(28(38)35-27(22(5)6)29(39)42-10)33-30(40)36(18-21(3)4)19-26(37)24(17-23-14-12-11-13-15-23)34-31(41)43-32(7,8)9/h11-15,20-22,24-27,37H,16-19H2,1-10H3,(H,33,40)(H,34,41)(H,35,38)/t24-,25-,26-,27-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157588
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-((R)-2-...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C44H61N5O8/c1-29(2)24-35(40(52)48-38(30(3)4)41(53)56-8)46-42(54)49(27-33-22-16-11-17-23-33)28-37(50)34(25-31-18-12-9-13-19-31)45-39(51)36(26-32-20-14-10-15-21-32)47-43(55)57-44(5,6)7/h9-23,29-30,34-38,50H,24-28H2,1-8H3,(H,45,51)(H,46,54)(H,47,55)(H,48,52)/t34-,35-,36-,37-,38-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157585
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C33H48N4O7/c1-22(2)18-27(29(39)34-23(3)30(40)43-7)35-31(41)37(20-25-16-12-9-13-17-25)21-28(38)26(19-24-14-10-8-11-15-24)36-32(42)44-33(4,5)6/h8-17,22-23,26-28,38H,18-21H2,1-7H3,(H,34,39)(H,35,41)(H,36,42)/t23-,26-,27-,28-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157572
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29-,30-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157583
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@H](NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C)C(C)C |r|
Show InChI InChI=1S/C34H50N4O7/c1-22(2)28(30(40)36-29(23(3)4)31(41)44-8)37-32(42)38(20-25-17-13-10-14-18-25)21-27(39)26(19-24-15-11-9-12-16-24)35-33(43)45-34(5,6)7/h9-18,22-23,26-29,39H,19-21H2,1-8H3,(H,35,43)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50370923
PNG
(CHEMBL1169550)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157572
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29-,30-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157582
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C32H46N4O7/c1-21(2)27(29(39)42-7)35-28(38)22(3)33-30(40)36(19-24-16-12-9-13-17-24)20-26(37)25(18-23-14-10-8-11-15-23)34-31(41)43-32(4,5)6/h8-17,21-22,25-27,37H,18-20H2,1-7H3,(H,33,40)(H,34,41)(H,35,38)/t22-,25-,26-,27-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157578
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C39H52N4O7/c1-27(2)22-32(35(45)40-33(36(46)49-6)24-29-18-12-8-13-19-29)41-37(47)43(25-30-20-14-9-15-21-30)26-34(44)31(23-28-16-10-7-11-17-28)42-38(48)50-39(3,4)5/h7-21,27,31-34,44H,22-26H2,1-6H3,(H,40,45)(H,41,47)(H,42,48)/t31-,32-,33-,34-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157580
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50370924
PNG
(CHEMBL1169551)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C35H52N4O7/c1-23(2)19-28(31(41)38-30(24(3)4)32(42)45-8)36-33(43)39(21-26-17-13-10-14-18-26)22-29(40)27(20-25-15-11-9-12-16-25)37-34(44)46-35(5,6)7/h9-18,23-24,27-30,40H,19-22H2,1-8H3,(H,36,43)(H,37,44)(H,38,41)/t27-,28-,29+,30-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157580
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H54N4O7/c1-24(2)19-29(32(42)37-30(20-25(3)4)33(43)46-8)38-34(44)40(22-27-17-13-10-14-18-27)23-31(41)28(21-26-15-11-9-12-16-26)39-35(45)47-36(5,6)7/h9-18,24-25,28-31,41H,19-23H2,1-8H3,(H,37,42)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157584
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-((R)-2-...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C40H61N5O8/c1-25(2)21-31(35(47)43-34(27(5)6)37(49)52-10)42-38(50)45(23-29-19-15-12-16-20-29)24-32(46)30(22-28-17-13-11-14-18-28)41-36(48)33(26(3)4)44-39(51)53-40(7,8)9/h11-20,25-27,30-34,46H,21-24H2,1-10H3,(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t30-,31-,32-,33-,34-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157587
PNG
((R)-tert-butyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(te...)
Show SMILES CC(C)C[C@@H](NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C38H58N4O7/c1-25(2)21-30(33(44)41-32(26(3)4)34(45)48-37(5,6)7)39-35(46)42(23-28-19-15-12-16-20-28)24-31(43)29(22-27-17-13-11-14-18-27)40-36(47)49-38(8,9)10/h11-20,25-26,29-32,43H,21-24H2,1-10H3,(H,39,46)(H,40,47)(H,41,44)/t29-,30-,31-,32-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 4 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157576
PNG
((R)-methyl 2-((R)-2-(3-((2R,3R)-3-(tert-butoxycarb...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C31H52N4O7/c1-19(2)16-24(27(37)34-26(20(3)4)28(38)41-10)32-29(39)35(21(5)6)18-25(36)23(17-22-14-12-11-13-15-22)33-30(40)42-31(7,8)9/h11-15,19-21,23-26,36H,16-18H2,1-10H3,(H,32,39)(H,33,40)(H,34,37)/t23-,24-,25-,26-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157577
PNG
((R)-methyl 2-((R)-2-(3-((2R,3R)-3-(tert-butoxycarb...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(CC(C)C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C32H54N4O7/c1-20(2)16-25(28(38)35-27(22(5)6)29(39)42-10)33-30(40)36(18-21(3)4)19-26(37)24(17-23-14-12-11-13-15-23)34-31(41)43-32(7,8)9/h11-15,20-22,24-27,37H,16-19H2,1-10H3,(H,33,40)(H,34,41)(H,35,38)/t24-,25-,26-,27-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157579
PNG
((R)-tert-butyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(te...)
Show SMILES CC(C)C[C@H](NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C39H60N4O7/c1-26(2)21-31(34(45)40-32(22-27(3)4)35(46)49-38(5,6)7)41-36(47)43(24-29-19-15-12-16-20-29)25-33(44)30(23-28-17-13-11-14-18-28)42-37(48)50-39(8,9)10/h11-20,26-27,30-33,44H,21-25H2,1-10H3,(H,40,45)(H,41,47)(H,42,48)/t30-,31-,32+,33+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 24 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157574
PNG
((R)-methyl 2-(3-benzyl-3-((2R,3R)-3-(tert-butoxyca...)
Show SMILES COC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C30H43N3O6/c1-21(2)17-25(27(35)38-6)31-28(36)33(19-23-15-11-8-12-16-23)20-26(34)24(18-22-13-9-7-10-14-22)32-29(37)39-30(3,4)5/h7-16,21,24-26,34H,17-20H2,1-6H3,(H,31,36)(H,32,37)/t24-,25-,26-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157590
PNG
((S)-tert-butyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(te...)
Show SMILES CC(C)C[C@H](NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C38H58N4O7/c1-25(2)21-30(33(44)41-32(26(3)4)34(45)48-37(5,6)7)39-35(46)42(23-28-19-15-12-16-20-28)24-31(43)29(22-27-17-13-11-14-18-27)40-36(47)49-38(8,9)10/h11-20,25-26,29-32,43H,21-24H2,1-10H3,(H,39,46)(H,40,47)(H,41,44)/t29-,30-,31+,32-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 24 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157587
PNG
((R)-tert-butyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(te...)
Show SMILES CC(C)C[C@@H](NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C38H58N4O7/c1-25(2)21-30(33(44)41-32(26(3)4)34(45)48-37(5,6)7)39-35(46)42(23-28-19-15-12-16-20-28)24-31(43)29(22-27-17-13-11-14-18-27)40-36(47)49-38(8,9)10/h11-20,25-26,29-32,43H,21-24H2,1-10H3,(H,39,46)(H,40,47)(H,41,44)/t29-,30-,31-,32-/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 24 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157584
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-((R)-2-...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)Cc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C40H61N5O8/c1-25(2)21-31(35(47)43-34(27(5)6)37(49)52-10)42-38(50)45(23-29-19-15-12-16-20-29)24-32(46)30(22-28-17-13-11-14-18-28)41-36(48)33(26(3)4)44-39(51)53-40(7,8)9/h11-20,25-27,30-34,46H,21-24H2,1-10H3,(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t30-,31-,32-,33-,34-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157586
PNG
((S)-tert-butyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(te...)
Show SMILES CC(C)C[C@@H](NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C39H60N4O7/c1-26(2)21-31(34(45)40-32(22-27(3)4)35(46)49-38(5,6)7)41-36(47)43(24-29-19-15-12-16-20-29)25-33(44)30(23-28-17-13-11-14-18-28)42-37(48)50-39(8,9)10/h11-20,26-27,30-33,44H,21-25H2,1-10H3,(H,40,45)(H,41,47)(H,42,48)/t30-,31-,32+,33-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP after 24 hrs by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157575
PNG
((R)-methyl 2-((R)-2-(3-((2R,3R)-3-(tert-butoxycarb...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C29H48N4O7/c1-18(2)15-22(25(35)32-24(19(3)4)26(36)39-9)30-27(37)33(8)17-23(34)21(16-20-13-11-10-12-14-20)31-28(38)40-29(5,6)7/h10-14,18-19,21-24,34H,15-17H2,1-9H3,(H,30,37)(H,31,38)(H,32,35)/t21-,22-,23-,24-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase isolated from HeLa cells by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157585
PNG
((R)-methyl 2-((R)-2-(3-benzyl-3-((2R,3R)-3-(tert-b...)
Show SMILES COC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
Show InChI InChI=1S/C33H48N4O7/c1-22(2)18-27(29(39)34-23(3)30(40)43-7)35-31(41)37(20-25-16-12-9-13-17-25)21-28(38)26(19-24-14-10-8-11-15-24)36-32(42)44-33(4,5)6/h8-17,22-23,26-28,38H,18-21H2,1-7H3,(H,34,39)(H,35,41)(H,36,42)/t23-,26-,27-,28-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))
BDBM50157576
PNG
((R)-methyl 2-((R)-2-(3-((2R,3R)-3-(tert-butoxycarb...)
Show SMILES COC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C31H52N4O7/c1-19(2)16-24(27(37)34-26(20(3)4)28(38)41-10)32-29(39)35(21(5)6)18-25(36)23(17-22-14-12-11-13-15-22)33-30(40)42-31(7,8)9/h11-15,19-21,23-26,36H,16-18H2,1-10H3,(H,32,39)(H,33,40)(H,34,37)/t23-,24-,25-,26-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in CHO cells expressing human APP by ELISA


J Med Chem 47: 6485-9 (2004)


Article DOI: 10.1021/jm049566e
BindingDB Entry DOI: 10.7270/Q2MK6DP8
More data for this
Ligand-Target Pair
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