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Compile Data Set for Download or QSAR

Found 2001 hits of ic50 data for polymerid = 240   
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
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
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
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)

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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
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)

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)
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
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)

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)
PDB
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UniProtKB/SwissProt
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B.MOAD
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UniChem
PubMed
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)

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
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
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)

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)
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
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)

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)
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
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)

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
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
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)

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
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.0600n/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)

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
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.0600n/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)

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
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.0600n/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)

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
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.0600n/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)

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
PDB
MMDB

UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.0700n/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)

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)
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.0750n/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)

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
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.0800n/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)

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
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.0800n/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)

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)
PDB
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B.MOAD
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UniChem
PubMed
n/an/a 0.0900n/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)

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
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.100n/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)

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
PDB
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UniProtKB/SwissProt
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.110n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480059
PNG
(CHEMBL523883)
Show SMILES Fc1ccc(cc1F)-n1cnc(c1)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C25H23F5N4O2S/c26-21-6-5-20(10-22(21)27)33-11-23(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
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.120n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50458169
PNG
(AVAGACESTAT | Avagacestat | BMS 708163 | BMS-70816...)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477051
PNG
(CHEMBL237666)
Show SMILES CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)OC
Show InChI InChI=1S/C26H37F2N3O3S/c1-6-8-21(30-23(32)11-10-18-13-19(27)15-20(28)14-18)24(33)31-25-29-16-22(35-25)17(2)9-7-12-26(3,4)34-5/h13-17,21H,6-12H2,1-5H3,(H,30,32)(H,29,31,33)/t17?,21-/m0/s1
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.140n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480063
PNG
(CHEMBL511928)
Show SMILES Fc1ccc(cc1)-n1cnc(n1)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C24H23F4N5O2S/c25-20-5-7-21(8-6-20)33-14-29-22(30-33)16-2-1-15-10-18-3-4-19(11-17(15)9-16)23(18)12-32(13-24(26,27)28)36(34,35)31-23/h1-2,5-9,14,18-19,31H,3-4,10-13H2/t18-,19+,23+/m0/s1
PDB
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.150n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481062
PNG
(CHEMBL583904)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12
Show InChI InChI=1/C19H16ClN3O2S/c20-13-7-9-14(10-8-13)26(24,25)23-17-4-2-1-3-15(17)18-16(11-21-22-18)19(23)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,21,22)
PDB
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480066
PNG
(CHEMBL494588)
Show SMILES Fc1ccccc1-n1cnc(c1)-c1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@]31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C25H24F4N4O2S/c26-21-3-1-2-4-23(21)32-12-22(30-15-32)17-6-5-16-10-19-7-8-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-6,9,12,15,19-20,31H,7-8,10-11,13-14H2/t19-,20+,24+/m0/s1
PDB
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B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.170n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481056
PNG
(CHEMBL572032)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)C#N
Show InChI InChI=1/C21H15F3N4O2S/c22-21(23,24)14-4-6-15(7-5-14)31(29,30)28-18-9-12(10-25)1-8-16(18)19-17(11-26-27-19)20(28)13-2-3-13/h1,4-9,11,13,20H,2-3H2,(H,26,27)
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B.MOAD
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PubMed
n/an/a 0.170n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50485444
PNG
(CHEMBL2059813)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(CC12CC(C1)(C2)c1ncon1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClF3N4O4S/c20-12-1-3-13(4-2-12)32(29,30)27(14(15(24)28)5-6-19(21,22)23)10-17-7-18(8-17,9-17)16-25-11-31-26-16/h1-4,11,14H,5-10H2,(H2,24,28)/t14-,17?,18?/m1/s1
PDB
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B.MOAD
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PubMed
n/an/a 0.178n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant


J Med Chem 55: 3414-24 (2012)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50485806
PNG
(CHEMBL2164125)
Show SMILES COc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H25ClN2O4S/c1-14(2)12-19(20(22)24)23(13-15-4-8-17(27-3)9-5-15)28(25,26)18-10-6-16(21)7-11-18/h4-11,14,19H,12-13H2,1-3H3,(H2,22,24)/t19-/m1/s1
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UniChem
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase expressed in IMR32 cell membranes using MBPC-125 Swedish as substrate assessed as inhibition of amyloid beta40 pr...


Bioorg Med Chem Lett 22: 6828-31 (2012)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477513
PNG
(CHEMBL392246)
Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C=NN(C)C1=O
Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17?,18-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481086
PNG
(CHEMBL571602)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-c1cncnc1
Show InChI InChI=1/C24H18F3N5O2S/c25-24(26,27)17-4-6-18(7-5-17)35(33,34)32-21-9-15(16-10-28-13-29-11-16)3-8-19(21)22-20(12-30-31-22)23(32)14-1-2-14/h3-14,23H,1-2H2,(H,30,31)
PDB
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PubMed
n/an/a 0.200n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481087
PNG
(CHEMBL571145)
Show SMILES FC(F)(F)C1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C17H11ClF3N3O2S/c18-10-5-7-11(8-6-10)27(25,26)24-14-4-2-1-3-12(14)15-13(9-22-23-15)16(24)17(19,20)21/h1-9,16H,(H,22,23)
PDB
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B.MOAD
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PubMed
n/an/a 0.210n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

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)
PDB
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PubMed
n/an/a 0.210n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50480050
PNG
(CHEMBL511375)
Show SMILES Cn1nc(cc1-c1ccccc1F)-c1ccc2CC3CCC(Cc2c1)C31CN(CC(F)(F)F)S(=O)(=O)N1
Show InChI InChI=1S/C26H26F4N4O2S/c1-33-24(21-4-2-3-5-22(21)27)13-23(31-33)17-7-6-16-11-19-8-9-20(12-18(16)10-17)25(19)14-34(15-26(28,29)30)37(35,36)32-25/h2-7,10,13,19-20,32H,8-9,11-12,14-15H2,1H3
PDB
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B.MOAD
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PubMed
n/an/a 0.210n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477065
PNG
(CHEMBL236592)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)O
Show InChI InChI=1S/C22H39N3O4S/c1-8-10-15(24-19(28)17(26)21(3,4)5)18(27)25-20-23-13-16(30-20)14(2)11-9-12-22(6,7)29/h13-15,17,26,29H,8-12H2,1-7H3,(H,24,28)(H,23,25,27)/t14?,15-,17+/m0/s1
PDB
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B.MOAD
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UniChem
PubMed
n/an/a 0.220n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477046
PNG
(CHEMBL236595)
Show SMILES COC(C)(C)CCCC(C)c1cnc(NC(=O)[C@H](C)NC(=O)CCc2cc(F)cc(F)c2)s1
Show InChI InChI=1S/C24H33F2N3O3S/c1-15(7-6-10-24(3,4)32-5)20-14-27-23(33-20)29-22(31)16(2)28-21(30)9-8-17-11-18(25)13-19(26)12-17/h11-16H,6-10H2,1-5H3,(H,28,30)(H,27,29,31)/t15?,16-/m0/s1
PDB
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PubMed
n/an/a 0.220n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492082
PNG
(CHEMBL2396959)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1[C@@H]2Cc3n[nH]cc3[C@H]1c1c2cccc1Cl
Show InChI InChI=1S/C19H13ClF3N3O2S/c20-14-6-2-5-12-16-8-15-13(9-24-25-15)18(17(12)14)26(16)29(27,28)11-4-1-3-10(7-11)19(21,22)23/h1-7,9,16,18H,8H2,(H,24,25)/t16-,18+/m1/s1
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PubMed
n/an/a 0.220n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50458169
PNG
(AVAGACESTAT | Avagacestat | BMS 708163 | BMS-70816...)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
PDB
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PubMed
n/an/a 0.225n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid beta42 production in human H4 cells expressing human APP swedish mutant


J Med Chem 55: 3414-24 (2012)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477923
PNG
(CHEMBL437977)
Show SMILES C[C@H](CCCNS(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H24Cl2N2O5S2/c1-14(4-3-11-22-29(2,25)26)23(19-12-17(21)6-5-15(19)13-24)30(27,28)18-9-7-16(20)8-10-18/h5-10,12,14,22,24H,3-4,11,13H2,1-2H3/t14-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels


Bioorg Med Chem Lett 18: 175-8 (2008)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50171224
PNG
(CHEMBL196215 | Cyclic sulfamide)
Show SMILES FC(F)(F)CN1C[C@@]2(NS1(=O)=O)[C@H]1CC[C@@H]2Cc2cc(\C=C\CN3CCC(CC3)C(F)(F)F)ccc2C1
Show InChI InChI=1/C25H31F6N3O2S/c26-24(27,28)16-34-15-23(32-37(34,35)36)21-5-6-22(23)14-19-12-17(3-4-18(19)13-21)2-1-9-33-10-7-20(8-11-33)25(29,30)31/h1-4,12,20-22,32H,5-11,13-16H2/b2-1+/t21-,22+,23+/s2
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PC cid
PC sid
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PubMed
n/an/a 0.240n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481063
PNG
(CHEMBL583662)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-n1ccnc1
Show InChI InChI=1/C23H18F3N5O2S/c24-23(25,26)15-3-6-17(7-4-15)34(32,33)31-20-11-16(30-10-9-27-13-30)5-8-18(20)21-19(12-28-29-21)22(31)14-1-2-14/h3-14,22H,1-2H2,(H,28,29)
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n/an/a 0.240n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481058
PNG
(CHEMBL570694)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)N1CCOC1=O
Show InChI InChI=1/C23H19F3N4O4S/c24-23(25,26)14-3-6-16(7-4-14)35(32,33)30-19-11-15(29-9-10-34-22(29)31)5-8-17(19)20-18(12-27-28-20)21(30)13-1-2-13/h3-8,11-13,21H,1-2,9-10H2,(H,27,28)
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n/an/a 0.260n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481055
PNG
(CHEMBL571821)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(I)cc12
Show InChI InChI=1/C20H15F3IN3O2S/c21-20(22,23)12-3-6-14(7-4-12)30(28,29)27-17-9-13(24)5-8-15(17)18-16(10-25-26-18)19(27)11-1-2-11/h3-11,19H,1-2H2,(H,25,26)
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n/an/a 0.260n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481089
PNG
(CHEMBL584330)
Show SMILES COC(=O)c1ccc2-c3n[nH]cc3C(C3CC3)N(c2c1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C22H18F3N3O4S/c1-32-21(29)13-4-9-16-18(10-13)28(20(12-2-3-12)17-11-26-27-19(16)17)33(30,31)15-7-5-14(6-8-15)22(23,24)25/h4-12,20H,2-3H2,1H3,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.260n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50458169
PNG
(AVAGACESTAT | Avagacestat | BMS 708163 | BMS-70816...)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.270n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4-8Sw cells assessed as reduction in amyloid beta (1 to 42) formation


Eur J Med Chem 148: 436-452 (2018)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481061
PNG
(CHEMBL570379)
Show SMILES CC(C)C1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C19H18ClN3O2S/c1-12(2)19-16-11-21-22-18(16)15-5-3-4-6-17(15)23(19)26(24,25)14-9-7-13(20)8-10-14/h3-12,19H,1-2H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477384
PNG
(CHEMBL248276)
Show SMILES Fc1cc(F)cc(c1)C1CCCC(N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C31H38ClF2N3O4S/c32-23-7-9-27(10-8-23)42(39,40)37-28(22-19-24(33)21-25(34)20-22)5-4-6-29(37)31(13-14-31)41-30(38)36-17-11-26(12-18-36)35-15-2-1-3-16-35/h7-10,19-21,26,28-29H,1-6,11-18H2
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase mediated amyloid beta-40 production in HEK293 cell membranes


Bioorg Med Chem Lett 17: 511-6 (2007)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477516
PNG
(BMS-433796 | CHEMBL247361)
Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2C=NN(C)C1=O
Show InChI InChI=1S/C21H20F2N4O4/c1-11(25-20(30)18(28)13-7-14(22)9-15(23)8-13)19(29)26-17-16-6-4-3-5-12(16)10-24-27(2)21(17)31/h3-11,17-18,28H,1-2H3,(H,25,30)(H,26,29)/t11-,17-,18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 cells


Bioorg Med Chem Lett 17: 4006-11 (2007)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492094
PNG
(CHEMBL2396964)
Show SMILES Fc1ccc(F)c2[C@H]3N([C@H](Cc4n[nH]cc34)c12)S(=O)(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H11F5N4O2S/c19-9-4-5-10(20)16-15(9)12-6-11-8(7-24-26-11)17(16)27(12)30(28,29)14-3-1-2-13(25-14)18(21,22)23/h1-5,7,12,17H,6H2,(H,24,26)/t12-,17+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477040
PNG
(CHEMBL237665)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)Nc1ncc(s1)[C@@H](C)CCCC(C)(C)OC
Show InChI InChI=1S/C22H39N3O4S/c1-8-10-16(24-20(28)18(26)14(2)3)19(27)25-21-23-13-17(30-21)15(4)11-9-12-22(5,6)29-7/h13-16,18,26H,8-12H2,1-7H3,(H,24,28)(H,23,25,27)/t15-,16-,18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50477022
PNG
(CHEMBL236594)
Show SMILES CCC[C@H](NC(=O)[C@@H](O)C(C)C)C(=O)Nc1ncc(s1)C(C)CCCC(C)(C)OC
Show InChI InChI=1S/C22H39N3O4S/c1-8-10-16(24-20(28)18(26)14(2)3)19(27)25-21-23-13-17(30-21)15(4)11-9-12-22(5,6)29-7/h13-16,18,26H,8-12H2,1-7H3,(H,24,28)(H,23,25,27)/t15?,16-,18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
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