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Compile Data Set for Download or QSAR

Found 3201 hits for UniProtKB: P49768   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Presenilin-1


(Homo sapiens (Human))
BDBM50476859
PNG
(CHEMBL232938)
Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H31N3O4/c1-16(2)15-21(30)27-24(32)26(13-8-14-26)25(33)28-22-19-11-5-4-9-17(19)18-10-6-7-12-20(18)29(3)23(22)31/h4-7,9-12,16,21-22,30H,8,13-15H2,1-3H3,(H,27,32)(H,28,33)/t21-,22-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476878
PNG
(CHEMBL399204)
Show SMILES CC(C)[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C27H29F3N4O4/c1-15(2)22(35)33-25(38)26(13-6-14-26)24(37)32-21-23(36)34(3)19-8-5-4-7-18(19)20(31-21)16-9-11-17(12-10-16)27(28,29)30/h4-5,7-12,15,21-22,35H,6,13-14H2,1-3H3,(H,32,37)(H,33,38)/t21-,22+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476861
PNG
(CHEMBL401044)
Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C27H29F3N4O3/c1-16(2)15-31-24(36)26(13-6-14-26)25(37)33-22-23(35)34(3)20-8-5-4-7-19(20)21(32-22)17-9-11-18(12-10-17)27(28,29)30/h4-5,7-12,16,22H,6,13-15H2,1-3H3,(H,31,36)(H,33,37)/t22-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476880
PNG
(CHEMBL450279)
Show SMILES CN1c2ccccc2-c2ccccc2[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O
Show InChI InChI=1S/C28H33N3O3/c1-31-23-14-7-6-12-21(23)20-11-4-5-13-22(20)24(25(31)32)30-27(34)28(16-8-17-28)26(33)29-18-15-19-9-2-3-10-19/h4-7,11-14,19,24H,2-3,8-10,15-18H2,1H3,(H,29,33)(H,30,34)/t24-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476871
PNG
(CHEMBL232182)
Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-26-23(30)25(13-8-14-25)24(31)27-21-19-11-5-4-9-17(19)18-10-6-7-12-20(18)28(3)22(21)29/h4-7,9-12,16,21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)/t21-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476864
PNG
(CHEMBL429438)
Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C28H31F3N4O3/c1-17(2)16-32-25(37)27(14-6-7-15-27)26(38)34-23-24(36)35(3)21-9-5-4-8-20(21)22(33-23)18-10-12-19(13-11-18)28(29,30)31/h4-5,8-13,17,23H,6-7,14-16H2,1-3H3,(H,32,37)(H,34,38)/t23-/m1/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476860
PNG
(CHEMBL232936)
Show SMILES CC(C)C[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C28H31F3N4O4/c1-16(2)15-21(36)32-25(38)27(13-6-14-27)26(39)34-23-24(37)35(3)20-8-5-4-7-19(20)22(33-23)17-9-11-18(12-10-17)28(29,30)31/h4-5,7-12,16,21,23,36H,6,13-15H2,1-3H3,(H,32,38)(H,34,39)/t21-,23+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476870
PNG
(CHEMBL232346)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)NCCC2CCCC2)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N4O3/c1-37-23-10-5-4-9-22(23)24(20-11-13-21(14-12-20)30(31,32)33)35-25(26(37)38)36-28(40)29(16-6-17-29)27(39)34-18-15-19-7-2-3-8-19/h4-5,9-14,19,25H,2-3,6-8,15-18H2,1H3,(H,34,39)(H,36,40)/t25-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM209909
PNG
(US9273014, Comparative Compound 45 | US9427442, Co...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O
Show InChI InChI=1S/C27H34N4O3/c1-5-11-19(24(28)32)21(16-17(2)3)26(33)30-25-27(34)31(4)22-15-10-9-14-20(22)23(29-25)18-12-7-6-8-13-18/h6-10,12-15,17,19,21,25H,5,11,16H2,1-4H3,(H2,28,32)(H,30,33)/t19-,21+,25+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476872
PNG
(CHEMBL401045)
Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H31N3O3/c1-17(2)16-27-24(31)26(14-8-9-15-26)25(32)28-22-20-12-5-4-10-18(20)19-11-6-7-13-21(19)29(3)23(22)30/h4-7,10-13,17,22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476865
PNG
(CHEMBL392265)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)N[C@@H](O)C2CCCCC2)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N4O4/c1-37-22-11-6-5-10-21(22)23(18-12-14-20(15-13-18)30(31,32)33)34-24(26(37)39)35-27(40)29(16-7-17-29)28(41)36-25(38)19-8-3-2-4-9-19/h5-6,10-15,19,24-25,38H,2-4,7-9,16-17H2,1H3,(H,35,40)(H,36,41)/t24-,25+/m1/s1
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KEGG
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3.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476857
PNG
(CHEMBL449960)
Show SMILES CC(C)CNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H30N4O3/c1-17(2)16-27-24(32)26(14-9-15-26)25(33)29-22-23(31)30(3)20-13-8-7-12-19(20)21(28-22)18-10-5-4-6-11-18/h4-8,10-13,17,22H,9,14-16H2,1-3H3,(H,27,32)(H,29,33)/t22-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476862
PNG
(CHEMBL232739)
Show SMILES CC(C)[C@H](O)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C25H29N3O4/c1-15(2)21(29)27-24(32)25(13-8-14-25)23(31)26-20-18-11-5-4-9-16(18)17-10-6-7-12-19(17)28(3)22(20)30/h4-7,9-12,15,20-21,29H,8,13-14H2,1-3H3,(H,26,31)(H,27,32)/t20-,21-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476856
PNG
(CHEMBL232138)
Show SMILES CC(C)CCNC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-16-27-24(31)26(14-8-15-26)25(32)28-22-20-11-5-4-9-18(20)19-10-6-7-12-21(19)29(3)23(22)30/h4-7,9-12,17,22H,8,13-16H2,1-3H3,(H,27,31)(H,28,32)/t22-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476866
PNG
(CHEMBL231941)
Show SMILES CC(C)CCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccc(cc2)C(F)(F)F)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C28H31F3N4O3/c1-17(2)13-16-32-25(37)27(14-6-15-27)26(38)34-23-24(36)35(3)21-8-5-4-7-20(21)22(33-23)18-9-11-19(12-10-18)28(29,30)31/h4-5,7-12,17,23H,6,13-16H2,1-3H3,(H,32,37)(H,34,38)/t23-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476875
PNG
(CHEMBL232183)
Show SMILES CC(C)CNC(=O)C1(CCCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C27H32N4O3/c1-18(2)17-28-25(33)27(15-9-10-16-27)26(34)30-23-24(32)31(3)21-14-8-7-13-20(21)22(29-23)19-11-5-4-6-12-19/h4-8,11-14,18,23H,9-10,15-17H2,1-3H3,(H,28,33)(H,30,34)/t23-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476879
PNG
(CHEMBL233172)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCCC2)C(=O)NCc2cc(F)cc(F)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H28F2N4O3/c1-36-24-12-6-5-11-23(24)25(20-9-3-2-4-10-20)34-26(27(36)37)35-29(39)30(13-7-8-14-30)28(38)33-18-19-15-21(31)17-22(32)16-19/h2-6,9-12,15-17,26H,7-8,13-14,18H2,1H3,(H,33,38)(H,35,39)/t26-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476873
PNG
(CHEMBL231984)
Show SMILES CCCCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H30N4O3/c1-3-4-17-27-24(32)26(15-10-16-26)25(33)29-22-23(31)30(2)20-14-9-8-13-19(20)21(28-22)18-11-6-5-7-12-18/h5-9,11-14,22H,3-4,10,15-17H2,1-2H3,(H,27,32)(H,29,33)/t22-/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476858
PNG
(CHEMBL231725)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)NCc2cc(F)cc(F)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H26F2N4O3/c1-35-23-11-6-5-10-22(23)24(19-8-3-2-4-9-19)33-25(26(35)36)34-28(38)29(12-7-13-29)27(37)32-17-18-14-20(30)16-21(31)15-18/h2-6,8-11,14-16,25H,7,12-13,17H2,1H3,(H,32,37)(H,34,38)/t25-/m1/s1
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14n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476876
PNG
(CHEMBL399819)
Show SMILES CCCNC(=O)C1(CCC1)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C25H28N4O3/c1-3-16-26-23(31)25(14-9-15-25)24(32)28-21-22(30)29(2)19-13-8-7-12-18(19)20(27-21)17-10-5-4-6-11-17/h4-8,10-13,21H,3,9,14-16H2,1-2H3,(H,26,31)(H,28,32)/t21-/m1/s1
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476868
PNG
(CHEMBL232367)
Show SMILES CC(C)CC(F)(F)NC(=O)C1(CCC1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H29F2N3O3/c1-16(2)15-26(27,28)30-24(34)25(13-8-14-25)23(33)29-21-19-11-5-4-9-17(19)18-10-6-7-12-20(18)31(3)22(21)32/h4-7,9-12,16,21H,8,13-15H2,1-3H3,(H,29,33)(H,30,34)/t21-/m0/s1
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22n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476869
PNG
(CHEMBL232968)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCCC2)C(=O)NCCC2CCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C30H36N4O3/c1-34-24-16-8-7-15-23(24)25(22-13-3-2-4-14-22)32-26(27(34)35)33-29(37)30(18-9-10-19-30)28(36)31-20-17-21-11-5-6-12-21/h2-4,7-8,13-16,21,26H,5-6,9-12,17-20H2,1H3,(H,31,36)(H,33,37)/t26-/m1/s1
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36n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476874
PNG
(CHEMBL393520)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCCC2)C(=O)NCc2cccs2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O3S/c1-32-22-14-6-5-13-21(22)23(19-10-3-2-4-11-19)30-24(25(32)33)31-27(35)28(15-7-8-16-28)26(34)29-18-20-12-9-17-36-20/h2-6,9-14,17,24H,7-8,15-16,18H2,1H3,(H,29,34)(H,31,35)/t24-/m1/s1
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41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476863
PNG
(CHEMBL273493)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)C2(CCC2)C(=O)N[C@H](O)C2CCCCC2)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H33F3N4O4/c1-37-22-11-6-5-10-21(22)23(18-12-14-20(15-13-18)30(31,32)33)34-24(26(37)39)35-27(40)29(16-7-17-29)28(41)36-25(38)19-8-3-2-4-9-19/h5-6,10-15,19,24-25,38H,2-4,7-9,16-17H2,1H3,(H,35,40)(H,36,41)/t24-,25-/m1/s1
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111n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476877
PNG
(CHEMBL398379)
Show SMILES CCCNC(=O)C(CC)(CC)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H32N4O3/c1-5-17-27-24(32)26(6-2,7-3)25(33)29-22-23(31)30(4)20-16-12-11-15-19(20)21(28-22)18-13-9-8-10-14-18/h8-16,22H,5-7,17H2,1-4H3,(H,27,32)(H,29,33)/t22-/m1/s1
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227n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50476867
PNG
(CHEMBL401434)
Show SMILES CCNC(=O)C(CC)(CC)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C25H30N4O3/c1-5-25(6-2,23(31)26-7-3)24(32)28-21-22(30)29(4)19-16-12-11-15-18(19)20(27-21)17-13-9-8-10-14-17/h8-16,21H,5-7H2,1-4H3,(H,26,31)(H,28,32)/t21-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes


Bioorg Med Chem Lett 17: 3910-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.102
BindingDB Entry DOI: 10.7270/Q2M90CFP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477148
PNG
(CHEMBL235870)
Show SMILES CC(OC(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C22H20F5N3O4/c1-12(34-20(33)28-11-21(23,24)22(25,26)27)18(31)29-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)30(2)19(17)32/h3-10,12,17H,11H2,1-2H3,(H,28,33)(H,29,31)/t12?,17-/m0/s1
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n/an/a 0.00200n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in HEK293 cells by reporter gene assay


Bioorg Med Chem Lett 17: 5918-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.078
BindingDB Entry DOI: 10.7270/Q28S4SNK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477143
PNG
(CHEMBL392113)
Show SMILES CC(C(=O)NCc1ccccc1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H25N3O3/c1-17(24(30)27-16-18-10-4-3-5-11-18)25(31)28-23-21-14-7-6-12-19(21)20-13-8-9-15-22(20)29(2)26(23)32/h3-15,17,23H,16H2,1-2H3,(H,27,30)(H,28,31)
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n/an/a 0.0150n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA


Bioorg Med Chem Lett 17: 5918-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.078
BindingDB Entry DOI: 10.7270/Q28S4SNK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477136
PNG
(CHEMBL235659)
Show SMILES CC(C(=O)NCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C21H20F3N3O3/c1-12(18(28)25-11-21(22,23)24)19(29)26-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)27(2)20(17)30/h3-10,12,17H,11H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 0.0200n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA


Bioorg Med Chem Lett 17: 5918-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.078
BindingDB Entry DOI: 10.7270/Q28S4SNK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477131
PNG
(CHEMBL235869)
Show SMILES CC(C(=O)NCCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C22H22F3N3O3/c1-13(19(29)26-12-11-22(23,24)25)20(30)27-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)28(2)21(18)31/h3-10,13,18H,11-12H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 0.0240n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in HEK293 cells by reporter gene assay


Bioorg Med Chem Lett 17: 5918-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.078
BindingDB Entry DOI: 10.7270/Q28S4SNK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480056
PNG
(CHEMBL468083)
Show SMILES Fc1ccc(cc1)-n1cnc(c1)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C25H24F4N4O2S/c26-21-5-7-22(8-6-21)32-12-23(30-15-32)17-2-1-16-10-19-3-4-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-2,5-9,12,15,19-20,31H,3-4,10-11,13-14H2/t19-,20+,24+/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay


J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477131
PNG
(CHEMBL235869)
Show SMILES CC(C(=O)NCCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C22H22F3N3O3/c1-13(19(29)26-12-11-22(23,24)25)20(30)27-18-16-9-4-3-7-14(16)15-8-5-6-10-17(15)28(2)21(18)31/h3-10,13,18H,11-12H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 0.0370n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA


Bioorg Med Chem Lett 17: 5918-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.078
BindingDB Entry DOI: 10.7270/Q28S4SNK
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50185404
PNG
((+/-)-(4aS,6R,8aS)-6-(4-chloro-benzenesulfonyl)-1-...)
Show SMILES Fc1ccc(F)c(c1)[C@]1(CC[C@H]2[C@H](CNS(=O)(=O)N2C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF2N2O4S2/c23-15-1-6-18(7-2-15)32(28,29)22(19-11-16(24)3-8-20(19)25)10-9-21-14(12-22)13-26-33(30,31)27(21)17-4-5-17/h1-3,6-8,11,14,17,21,26H,4-5,9-10,12-13H2/t14-,21-,22+/m0/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase


Bioorg Med Chem Lett 16: 3073-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.083
BindingDB Entry DOI: 10.7270/Q2DR2V3C
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477136
PNG
(CHEMBL235659)
Show SMILES CC(C(=O)NCC(F)(F)F)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C21H20F3N3O3/c1-12(18(28)25-11-21(22,23)24)19(29)26-17-15-9-4-3-7-13(15)14-8-5-6-10-16(14)27(2)20(17)30/h3-10,12,17H,11H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 0.0420n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in HEK293 cells by reporter gene assay


Bioorg Med Chem Lett 17: 5918-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.078
BindingDB Entry DOI: 10.7270/Q28S4SNK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477060
PNG
(CHEMBL393761)
Show SMILES CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)O
Show InChI InChI=1S/C25H35F2N3O3S/c1-5-7-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-6-11-25(3,4)33/h12-16,20,33H,5-11H2,1-4H3,(H,29,31)(H,28,30,32)/t16?,20-/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay


Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50185410
PNG
((4aS,6S,8aR)-6-(4-chloro-benzenesulfonyl)-6-(2,5-d...)
Show SMILES CCC1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClF2NO4S2/c1-2-17-11-14-13-22(10-9-21(14)26-32(17,29)30,19-12-16(24)5-8-20(19)25)31(27,28)18-6-3-15(23)4-7-18/h3-8,12,14,17,21,26H,2,9-11,13H2,1H3/t14-,17?,21+,22-/m1/s1
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Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase


Bioorg Med Chem Lett 16: 3073-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.083
BindingDB Entry DOI: 10.7270/Q2DR2V3C
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480051
PNG
(CHEMBL512282)
Show SMILES Cn1nc(cc1-c1ccc(F)cc1F)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C26H25F5N4O2S/c1-34-24(21-7-6-20(27)11-22(21)28)12-23(32-34)16-3-2-15-9-18-4-5-19(10-17(15)8-16)25(18)13-35(14-26(29,30)31)38(36,37)33-25/h2-3,6-8,11-12,18-19,33H,4-5,9-10,13-14H2,1H3/t18-,19+,25+/m0/s1
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Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay


J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480052
PNG
(CHEMBL467457)
Show SMILES Cn1nc(cc1-c1ccc(F)c(F)c1)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C26H25F5N4O2S/c1-34-24(17-4-7-21(27)22(28)11-17)12-23(32-34)16-3-2-15-9-19-5-6-20(10-18(15)8-16)25(19)13-35(14-26(29,30)31)38(36,37)33-25/h2-4,7-8,11-12,19-20,33H,5-6,9-10,13-14H2,1H3/t19-,20+,25+/m0/s1
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Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay


J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480058
PNG
(CHEMBL495009)
Show SMILES Fc1ccc(c(F)c1)-n1cnc(c1)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C25H23F5N4O2S/c26-20-5-6-23(21(27)10-20)33-11-22(31-14-33)16-2-1-15-8-18-3-4-19(9-17(15)7-16)24(18)12-34(13-25(28,29)30)37(35,36)32-24/h1-2,5-7,10-11,14,18-19,32H,3-4,8-9,12-13H2/t18-,19+,24+/m0/s1
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Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay


J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480057
PNG
(CHEMBL523832)
Show SMILES Cn1nc(cc1-c1ccc(F)cc1)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C26H26F4N4O2S/c1-33-24(16-4-8-22(27)9-5-16)13-23(31-33)18-3-2-17-11-20-6-7-21(12-19(17)10-18)25(20)14-34(15-26(28,29)30)37(35,36)32-25/h2-5,8-10,13,20-21,32H,6-7,11-12,14-15H2,1H3/t20-,21+,25+/m0/s1
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Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay


J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480062
PNG
(CHEMBL511572)
Show SMILES Cn1nc(cc1-c1ccc(Cl)cc1)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C26H26ClF3N4O2S/c1-33-24(16-4-8-22(27)9-5-16)13-23(31-33)18-3-2-17-11-20-6-7-21(12-19(17)10-18)25(20)14-34(15-26(28,29)30)37(35,36)32-25/h2-5,8-10,13,20-21,32H,6-7,11-12,14-15H2,1H3/t20-,21+,25+/m0/s1
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Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay


J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477143
PNG
(CHEMBL392113)
Show SMILES CC(C(=O)NCc1ccccc1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H25N3O3/c1-17(24(30)27-16-18-10-4-3-5-11-18)25(31)28-23-21-14-7-6-12-19(21)20-13-8-9-15-22(20)29(2)26(23)32/h3-15,17,23H,16H2,1-2H3,(H,27,30)(H,28,31)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in HEK293 cells by reporter gene assay


Bioorg Med Chem Lett 17: 5918-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.078
BindingDB Entry DOI: 10.7270/Q28S4SNK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50241259
PNG
((2S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetam...)
Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1
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Centre Hospitalier Universitaire Vaudois (CHUV)

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in HEK293 cells expressing APP 695 assessed as reduction in amyloid beta levels after 5 hrs by Western blot analysis


J Med Chem 59: 7719-37 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01516
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480065
PNG
(CHEMBL495185)
Show SMILES FC(F)(F)CN1C[C@@]2(NS1(=O)=O)[C@H]1CC[C@@H]2Cc2cc(ccc2C1)-c1cn(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClF3N4O2S/c26-21-5-7-22(8-6-21)32-12-23(30-15-32)17-2-1-16-10-19-3-4-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-2,5-9,12,15,19-20,31H,3-4,10-11,13-14H2/t19-,20+,24+/m0/s1
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Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay


J Med Chem 52: 3441-4 (2009)


Article DOI: 10.1021/jm900056p
BindingDB Entry DOI: 10.7270/Q2B85BZ2
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50185411
PNG
((4aS,6S,8aR)-6-(4-chloro-benzenesulfonyl)-6-(2,5-d...)
Show SMILES CC1C[C@@H]2C[C@](CC[C@@H]2NS1(=O)=O)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClF2NO4S2/c1-13-10-14-12-21(9-8-20(14)25-31(13,28)29,18-11-16(23)4-7-19(18)24)30(26,27)17-5-2-15(22)3-6-17/h2-7,11,13-14,20,25H,8-10,12H2,1H3/t13?,14-,20+,21-/m1/s1
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Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase


Bioorg Med Chem Lett 16: 3073-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.083
BindingDB Entry DOI: 10.7270/Q2DR2V3C
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477067
PNG
(CHEMBL237875)
Show SMILES CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)OC
Show InChI InChI=1S/C25H35F2N3O3S/c1-6-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-7-11-25(3,4)33-5/h12-16,20H,6-11H2,1-5H3,(H,29,31)(H,28,30,32)/t16?,20-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay


Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50241259
PNG
((2S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetam...)
Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1
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University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in HEK293 cells assessed as reduction in amyloid beta40 level incubated for 4 hrs by electrochemiluminescence detection...


J Med Chem 63: 12290-12358 (2020)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477134
PNG
(CHEMBL393542)
Show SMILES CC(C(=O)NCC1CC1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C23H25N3O3/c1-14(21(27)24-13-15-11-12-15)22(28)25-20-18-9-4-3-7-16(18)17-8-5-6-10-19(17)26(2)23(20)29/h3-10,14-15,20H,11-13H2,1-2H3,(H,24,27)(H,25,28)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase assessed as amyloid-beta40 peptide production in HEK293 cells by ELISA


Bioorg Med Chem Lett 17: 5918-23 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.078
BindingDB Entry DOI: 10.7270/Q28S4SNK
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477038
PNG
(CHEMBL237850)
Show SMILES CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)[C@@H](C)CCCC(C)(C)OC
Show InChI InChI=1S/C25H35F2N3O3S/c1-6-20(29-22(31)10-9-17-12-18(26)14-19(27)13-17)23(32)30-24-28-15-21(34-24)16(2)8-7-11-25(3,4)33-5/h12-16,20H,6-11H2,1-5H3,(H,29,31)(H,28,30,32)/t16-,20-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay


Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477048
PNG
(CHEMBL236597)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(s1)[C@@H](C)CCCC(C)(C)OC
Show InChI InChI=1S/C23H41N3O4S/c1-9-11-16(25-20(29)18(27)22(3,4)5)19(28)26-21-24-14-17(31-21)15(2)12-10-13-23(6,7)30-8/h14-16,18,27H,9-13H2,1-8H3,(H,25,29)(H,24,26,28)/t15-,16-,18+/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase activity in human H4 cells transfected with APP695 mutant assessed as beta amyloid(1-40) production by whole cell assay


Bioorg Med Chem Lett 17: 5518-22 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.035
BindingDB Entry DOI: 10.7270/Q2XG9TX8
More data for this
Ligand-Target Pair
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