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Compile Data Set for Download or QSAR

Found 205 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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))
BDBM50393452
PNG
(CHEMBL2159511)
Show SMILES CS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1
MMDB

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Article
n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393453
PNG
(CHEMBL2159510)
Show SMILES CCS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF2O6S2/c1-2-32(26,27)12-9-19-16-13-31-21-18(25)8-7-17(24)20(21)22(16,10-11-30-19)33(28,29)15-5-3-14(23)4-6-15/h3-8,16,19H,2,9-13H2,1H3/t16-,19-,22-/m0/s1
MMDB

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Article
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193022
PNG
(US9193726, 10)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(c(F)c1)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H23F5N4O3/c1-13-11-32(12-31-13)18-3-4-19-24(36)33(7-8-34(19)23(18)35)14(2)20-5-6-21(37-20)15-9-16(26)22(17(27)10-15)25(28,29)30/h3-4,9-12,14,20-21H,5-8H2,1-2H3/t14-,20-,21+/m0/s1
MMDB

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US Patent
n/an/a 3.34n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393452
PNG
(CHEMBL2159511)
Show SMILES CS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1
MMDB

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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393453
PNG
(CHEMBL2159510)
Show SMILES CCS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClF2O6S2/c1-2-32(26,27)12-9-19-16-13-31-21-18(25)8-7-17(24)20(21)22(16,10-11-30-19)33(28,29)15-5-3-14(23)4-6-15/h3-8,16,19H,2,9-13H2,1H3/t16-,19-,22-/m0/s1
MMDB

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Article
n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193067
PNG
(US9193726, 55)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)c(F)c1)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C24H23ClF2N4O3/c1-13-11-29(12-28-13)18-3-4-19-24(33)30(7-8-31(19)23(18)32)14(2)20-5-6-21(34-20)15-9-16(26)22(25)17(27)10-15/h3-4,9-12,14,20-21H,5-8H2,1-2H3/t14-,20-,21+/m0/s1
MMDB

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US Patent
n/an/a 5.48n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193079
PNG
(US9193726, 67)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)c(Cl)c1)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C24H23Cl2FN4O3/c1-13-11-29(12-28-13)18-3-4-19-24(33)30(7-8-31(19)23(18)32)14(2)20-5-6-21(34-20)15-9-16(25)22(26)17(27)10-15/h3-4,9-12,14,20-21H,5-8H2,1-2H3/t14-,20-,21+/m0/s1
MMDB

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US Patent
n/an/a 5.78n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393454
PNG
(CHEMBL2159509)
Show SMILES CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClF2O6S2/c1-14(2)33(27,28)12-9-20-17-13-32-22-19(26)8-7-18(25)21(22)23(17,10-11-31-20)34(29,30)16-5-3-15(24)4-6-16/h3-8,14,17,20H,9-13H2,1-2H3/t17-,20-,23-/m0/s1
MMDB

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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193081
PNG
(US9193726, 69)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)cc1C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H23ClF4N4O3/c1-13-11-32(12-31-13)19-3-4-20-24(36)33(7-8-34(20)23(19)35)14(2)21-5-6-22(37-21)15-9-18(27)17(26)10-16(15)25(28,29)30/h3-4,9-12,14,21-22H,5-8H2,1-2H3/t14-,21-,22+/m0/s1
MMDB

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US Patent
n/an/a 7.84n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393457
PNG
(CHEMBL2159689)
Show SMILES CNC(=O)OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClF2NO6S/c1-26-21(27)31-10-8-18-15-12-32-20-17(25)7-6-16(24)19(20)22(15,9-11-30-18)33(28,29)14-4-2-13(23)3-5-14/h2-7,15,18H,8-12H2,1H3,(H,26,27)/t15-,18-,22-/m0/s1
MMDB

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Article
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393457
PNG
(CHEMBL2159689)
Show SMILES CNC(=O)OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClF2NO6S/c1-26-21(27)31-10-8-18-15-12-32-20-17(25)7-6-16(24)19(20)22(15,9-11-30-18)33(28,29)14-4-2-13(23)3-5-14/h2-7,15,18H,8-12H2,1H3,(H,26,27)/t15-,18-,22-/m0/s1
MMDB

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Article
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393454
PNG
(CHEMBL2159509)
Show SMILES CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClF2O6S2/c1-14(2)33(27,28)12-9-20-17-13-32-22-19(26)8-7-18(25)21(22)23(17,10-11-31-20)34(29,30)16-5-3-15(24)4-6-16/h3-8,14,17,20H,9-13H2,1-2H3/t17-,20-,23-/m0/s1
MMDB

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Article
n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193063
PNG
(US9193726, 51)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(c(F)c1)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H24F4N4O3/c1-14-12-31(13-30-14)19-5-6-20-24(35)32(9-10-33(20)23(19)34)15(2)21-7-8-22(36-21)16-3-4-17(18(26)11-16)25(27,28)29/h3-6,11-13,15,21-22H,7-10H2,1-2H3/t15-,21-,22+/m0/s1
MMDB

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US Patent
n/an/a 8.35n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193021
PNG
(US9193726, 9)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(Cl)cc1C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H24ClF3N4O3/c1-14-12-31(13-30-14)19-5-6-20-24(35)32(9-10-33(20)23(19)34)15(2)21-7-8-22(36-21)17-4-3-16(26)11-18(17)25(27,28)29/h3-6,11-13,15,21-22H,7-10H2,1-2H3/t15-,21-,22+/m0/s1
MMDB

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US Patent
n/an/a 9.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193082
PNG
(US9193726, 70)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(Cl)c(F)c1C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H23ClF4N4O3/c1-13-11-32(12-31-13)17-5-6-18-24(36)33(9-10-34(18)23(17)35)14(2)19-7-8-20(37-19)15-3-4-16(26)22(27)21(15)25(28,29)30/h3-6,11-12,14,19-20H,7-10H2,1-2H3/t14-,19-,20+/m0/s1
MMDB

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US Patent
n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193062
PNG
(US9193726, 50)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(c(F)c1F)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H23F5N4O3/c1-13-11-32(12-31-13)17-5-6-18-24(36)33(9-10-34(18)23(17)35)14(2)19-7-8-20(37-19)15-3-4-16(25(28,29)30)22(27)21(15)26/h3-6,11-12,14,19-20H,7-10H2,1-2H3/t14-,19-,20+/m0/s1
MMDB

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US Patent
n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193069
PNG
(US9193726, 57)
Show SMILES COc1cc(Cl)c(F)cc1[C@H]1CC[C@H](O1)[C@H](C)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H26ClFN4O4/c1-14-12-29(13-28-14)19-4-5-20-25(33)30(8-9-31(20)24(19)32)15(2)21-6-7-22(35-21)16-10-18(27)17(26)11-23(16)34-3/h4-5,10-13,15,21-22H,6-9H2,1-3H3/t15-,21-,22+/m0/s1
MMDB

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US Patent
n/an/a 11.1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193066
PNG
(US9193726, 54)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)cc1F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C24H23ClF2N4O3/c1-13-11-29(12-28-13)19-3-4-20-24(33)30(7-8-31(20)23(19)32)14(2)21-5-6-22(34-21)15-9-18(27)16(25)10-17(15)26/h3-4,9-12,14,21-22H,5-8H2,1-2H3/t14-,21-,22+/m0/s1
MMDB

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US Patent
n/an/a 11.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193074
PNG
(US9193726, 62)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3cc(F)c(Cl)c(F)c3)CCn2c1=O
Show InChI InChI=1S/C23H21ClF2N4O3/c1-13-10-29(12-27-13)18-3-4-19-22(31)28(6-7-30(19)23(18)32)11-15-2-5-20(33-15)14-8-16(25)21(24)17(26)9-14/h3-4,8-10,12,15,20H,2,5-7,11H2,1H3/t15-,20+/m0/s1
MMDB

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US Patent
n/an/a 13.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193020
PNG
(US9193726, 8)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(cc1)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H25F3N4O3/c1-15-13-30(14-29-15)19-7-8-20-24(34)31(11-12-32(20)23(19)33)16(2)21-9-10-22(35-21)17-3-5-18(6-4-17)25(26,27)28/h3-8,13-14,16,21-22H,9-12H2,1-2H3/t16-,21-,22+/m0/s1
MMDB

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n/an/a 14.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193070
PNG
(US9193726, 58)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(Cl)cc1OC(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H24ClF3N4O4/c1-14-12-31(13-30-14)18-5-6-19-24(35)32(9-10-33(19)23(18)34)15(2)20-7-8-21(36-20)17-4-3-16(26)11-22(17)37-25(27,28)29/h3-6,11-13,15,20-21H,7-10H2,1-2H3/t15-,20-,21+/m0/s1
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n/an/a 14.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193064
PNG
(US9193726, 52)
Show SMILES COc1cc(ccc1[C@H]1CC[C@H](O1)[C@H](C)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O)C(F)(F)F
Show InChI InChI=1S/C26H27F3N4O4/c1-15-13-31(14-30-15)19-6-7-20-25(35)32(10-11-33(20)24(19)34)16(2)21-8-9-22(37-21)18-5-4-17(26(27,28)29)12-23(18)36-3/h4-7,12-14,16,21-22H,8-11H2,1-3H3/t16-,21-,22+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193059
PNG
(US9193726, 47)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(c(F)c3)C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C24H22F4N4O3/c1-14-11-31(13-29-14)19-5-6-20-22(33)30(8-9-32(20)23(19)34)12-16-3-7-21(35-16)15-2-4-17(18(25)10-15)24(26,27)28/h2,4-6,10-11,13,16,21H,3,7-9,12H2,1H3/t16-,21+/m0/s1
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n/an/a 15.7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193030
PNG
(US9193726, 18)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3cc(F)c(c(F)c3)C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C24H21F5N4O3/c1-13-10-32(12-30-13)18-3-4-19-22(34)31(6-7-33(19)23(18)35)11-15-2-5-20(36-15)14-8-16(25)21(17(26)9-14)24(27,28)29/h3-4,8-10,12,15,20H,2,5-7,11H2,1H3/t15-,20+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393451
PNG
(CHEMBL2159687)
Show SMILES OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClF2O5S/c21-12-1-3-13(4-2-12)29(25,26)20-8-10-27-17(7-9-24)14(20)11-28-19-16(23)6-5-15(22)18(19)20/h1-6,14,17,24H,7-11H2/t14-,17-,20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193085
PNG
(US9193726, 73)
Show SMILES C[C@H]1Cn2c(ccc(-n3cnc(C)c3)c2=O)C(=O)N1C[C@H]1CC[C@H](O1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O3/c1-15-11-30(14-29-15)20-8-9-21-24(34)31(16(2)12-32(21)23(20)33)13-19-7-10-22(35-19)17-3-5-18(6-4-17)25(26,27)28/h3-6,8-9,11,14,16,19,22H,7,10,12-13H2,1-2H3/t16-,19+,22-/m0/s1
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n/an/a 19.8n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393451
PNG
(CHEMBL2159687)
Show SMILES OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClF2O5S/c21-12-1-3-13(4-2-12)29(25,26)20-8-10-27-17(7-9-24)14(20)11-28-19-16(23)6-5-15(22)18(19)20/h1-6,14,17,24H,7-11H2/t14-,17-,20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193061
PNG
(US9193726, 49)
Show SMILES COc1cc(Cl)ccc1[C@H]1CC[C@@H](CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)O1
Show InChI InChI=1S/C24H25ClN4O4/c1-15-12-28(14-26-15)19-6-7-20-23(30)27(9-10-29(20)24(19)31)13-17-4-8-21(33-17)18-5-3-16(25)11-22(18)32-2/h3,5-7,11-12,14,17,21H,4,8-10,13H2,1-2H3/t17-,21+/m0/s1
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n/an/a 21.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393455
PNG
(CHEMBL2159691)
Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@H](CCC#N)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClF2NO4S/c22-13-3-5-14(6-4-13)30(26,27)21-9-11-28-18(2-1-10-25)15(21)12-29-20-17(24)8-7-16(23)19(20)21/h3-8,15,18H,1-2,9,11-12H2/t15-,18-,21-/m0/s1
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393456
PNG
(CHEMBL2159690)
Show SMILES CCNC(=O)OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClF2NO6S/c1-2-27-22(28)32-11-9-19-16-13-33-21-18(26)8-7-17(25)20(21)23(16,10-12-31-19)34(29,30)15-5-3-14(24)4-6-15/h3-8,16,19H,2,9-13H2,1H3,(H,27,28)/t16-,19-,23-/m0/s1
MMDB

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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393454
PNG
(CHEMBL2159509)
Show SMILES CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClF2O6S2/c1-14(2)33(27,28)12-9-20-17-13-32-22-19(26)8-7-18(25)21(22)23(17,10-11-31-20)34(29,30)16-5-3-15(24)4-6-16/h3-8,14,17,20H,9-13H2,1-2H3/t17-,20-,23-/m0/s1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 production by membrane based assay


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193080
PNG
(US9193726, 68)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(F)cc1C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H24F4N4O3/c1-14-12-31(13-30-14)19-5-6-20-24(35)32(9-10-33(20)23(19)34)15(2)21-7-8-22(36-21)17-4-3-16(26)11-18(17)25(27,28)29/h3-6,11-13,15,21-22H,7-10H2,1-2H3/t15-,21-,22+/m0/s1
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n/an/a 24.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193073
PNG
(US9193726, 61)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(Cl)cc1OC(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H25ClF2N4O4/c1-14-12-30(13-29-14)18-5-6-19-24(34)31(9-10-32(19)23(18)33)15(2)20-7-8-21(35-20)17-4-3-16(26)11-22(17)36-25(27)28/h3-6,11-13,15,20-21,25H,7-10H2,1-2H3/t15-,20-,21+/m0/s1
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n/an/a 24.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193018
PNG
(US9193726, 6)
Show SMILES C[C@H]1C[C@@H](O[C@@H]1CN1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O3/c1-15-11-21(17-3-5-18(6-4-17)25(26,27)28)35-22(15)13-30-9-10-32-20(23(30)33)8-7-19(24(32)34)31-12-16(2)29-14-31/h3-8,12,14-15,21-22H,9-11,13H2,1-2H3/t15-,21+,22+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393454
PNG
(CHEMBL2159509)
Show SMILES CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClF2O6S2/c1-14(2)33(27,28)12-9-20-17-13-32-22-19(26)8-7-18(25)21(22)23(17,10-11-31-20)34(29,30)16-5-3-15(24)4-6-16/h3-8,14,17,20H,9-13H2,1-2H3/t17-,20-,23-/m0/s1
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193057
PNG
(US9193726, 45)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(cc3)S(F)(F)(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C23H23F5N4O3S/c1-15-12-31(14-29-15)19-7-8-20-22(33)30(10-11-32(20)23(19)34)13-17-4-9-21(35-17)16-2-5-18(6-3-16)36(24,25,26,27)28/h2-3,5-8,12,14,17,21H,4,9-11,13H2,1H3/t17-,21+/m0/s1
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n/an/a 26.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193077
PNG
(US9193726, 65)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(Cl)cc3C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C24H22ClF3N4O3/c1-14-11-31(13-29-14)19-5-6-20-22(33)30(8-9-32(20)23(19)34)12-16-3-7-21(35-16)17-4-2-15(25)10-18(17)24(26,27)28/h2,4-6,10-11,13,16,21H,3,7-9,12H2,1H3/t16-,21+/m0/s1
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n/an/a 26.8n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193055
PNG
(US9193726, 43)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(cc3)C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C24H23F3N4O3/c1-15-12-30(14-28-15)19-7-8-20-22(32)29(10-11-31(20)23(19)33)13-18-6-9-21(34-18)16-2-4-17(5-3-16)24(25,26)27/h2-5,7-8,12,14,18,21H,6,9-11,13H2,1H3/t18-,21+/m0/s1
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n/an/a 27.6n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193065
PNG
(US9193726, 53)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(cc1Cl)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H24ClF3N4O3/c1-14-12-31(13-30-14)19-5-6-20-24(35)32(9-10-33(20)23(19)34)15(2)21-7-8-22(36-21)17-4-3-16(11-18(17)26)25(27,28)29/h3-6,11-13,15,21-22H,7-10H2,1-2H3/t15-,21-,22+/m0/s1
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n/an/a 29.1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193027
PNG
(US9193726, 15)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@H]3CCC[C@@H](O3)c3ccc(cc3)C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C25H25F3N4O3/c1-16-13-31(15-29-16)20-9-10-21-23(33)30(11-12-32(21)24(20)34)14-19-3-2-4-22(35-19)17-5-7-18(8-6-17)25(26,27)28/h5-10,13,15,19,22H,2-4,11-12,14H2,1H3/t19-,22-/m1/s1
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n/an/a 29.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193078
PNG
(US9193726, 66)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(F)cc1C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C25H23F5N4O3/c1-13-11-32(12-31-13)19-3-4-20-24(36)33(7-8-34(20)23(19)35)14(2)21-5-6-22(37-21)15-9-17(26)18(27)10-16(15)25(28,29)30/h3-4,9-12,14,21-22H,5-8H2,1-2H3/t14-,21-,22+/m0/s1
MMDB

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US Patent
n/an/a 33.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393455
PNG
(CHEMBL2159691)
Show SMILES Fc1ccc(F)c2c1OC[C@H]1[C@H](CCC#N)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClF2NO4S/c22-13-3-5-14(6-4-13)30(26,27)21-9-11-28-18(2-1-10-25)15(21)12-29-20-17(24)8-7-16(23)19(20)21/h3-8,15,18H,1-2,9,11-12H2/t15-,18-,21-/m0/s1
MMDB

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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193029
PNG
(US9193726, 17)
Show SMILES C[C@H]1C[C@@H](CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)O[C@H]1c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O3/c1-15-11-19(35-22(15)17-3-5-18(6-4-17)25(26,27)28)13-30-9-10-32-21(23(30)33)8-7-20(24(32)34)31-12-16(2)29-14-31/h3-8,12,14-15,19,22H,9-11,13H2,1-2H3/t15-,19-,22+/m0/s1
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US Patent
n/an/a 38.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193023
PNG
(US9193726, 11)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@](C)(O3)c3ccc(cc3)C(F)(F)F)CCn2c1=O
Show InChI InChI=1S/C25H25F3N4O3/c1-16-13-31(15-29-16)20-7-8-21-22(33)30(11-12-32(21)23(20)34)14-19-9-10-24(2,35-19)17-3-5-18(6-4-17)25(26,27)28/h3-8,13,15,19H,9-12,14H2,1-2H3/t19-,24+/m0/s1
MMDB

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US Patent
n/an/a 40.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393452
PNG
(CHEMBL2159511)
Show SMILES CS(=O)(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClF2O6S2/c1-31(25,26)11-8-18-15-12-30-20-17(24)7-6-16(23)19(20)21(15,9-10-29-18)32(27,28)14-4-2-13(22)3-5-14/h2-7,15,18H,8-12H2,1H3/t15-,18-,21-/m0/s1
MMDB

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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as notch cleavage


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193084
PNG
(US9193726, 72)
Show SMILES C[C@@H]1Cn2c(ccc(-n3cnc(C)c3)c2=O)C(=O)N1C[C@H]1CC[C@H](O1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H25F3N4O3/c1-15-11-30(14-29-15)20-8-9-21-24(34)31(16(2)12-32(21)23(20)33)13-19-7-10-22(35-19)17-3-5-18(6-4-17)25(26,27)28/h3-6,8-9,11,14,16,19,22H,7,10,12-13H2,1-2H3/t16-,19-,22+/m1/s1
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n/an/a 46.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50393456
PNG
(CHEMBL2159690)
Show SMILES CCNC(=O)OCC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClF2NO6S/c1-2-27-22(28)32-11-9-19-16-13-33-21-18(26)8-7-17(25)20(21)23(16,10-12-31-19)34(29,30)15-5-3-14(24)4-6-15/h3-8,16,19H,2,9-13H2,1H3,(H,27,28)/t16-,19-,23-/m0/s1
MMDB

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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PS1 gamma-secretase expressed in HEK cells harboring Awe-Lon gene assessed as reduction of amyloid beta-40 production


Citation and Details
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193056
PNG
(US9193726, 44)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(Cl)cc3)CCn2c1=O
Show InChI InChI=1S/C23H23ClN4O3/c1-15-12-27(14-25-15)19-7-8-20-22(29)26(10-11-28(20)23(19)30)13-18-6-9-21(31-18)16-2-4-17(24)5-3-16/h2-5,7-8,12,14,18,21H,6,9-11,13H2,1H3/t18-,21+/m0/s1
MMDB

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US Patent
n/an/a 52.1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193083
PNG
(US9193726, 71)
Show SMILES C[C@@H]([C@@H]1CC[C@@H](O1)c1ccc(s1)C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
Show InChI InChI=1S/C23H23F3N4O3S/c1-13-11-28(12-27-13)15-3-4-16-22(32)29(9-10-30(16)21(15)31)14(2)17-5-6-18(33-17)19-7-8-20(34-19)23(24,25)26/h3-4,7-8,11-12,14,17-18H,5-6,9-10H2,1-2H3/t14-,17-,18+/m0/s1
MMDB

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US Patent
n/an/a 52.4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM193058
PNG
(US9193726, 46)
Show SMILES Cc1cn(cn1)-c1ccc2C(=O)N(C[C@@H]3CC[C@@H](O3)c3ccc(OC(F)(F)F)cc3)CCn2c1=O
Show InChI InChI=1S/C24H23F3N4O4/c1-15-12-30(14-28-15)19-7-8-20-22(32)29(10-11-31(20)23(19)33)13-18-6-9-21(34-18)16-2-4-17(5-3-16)35-24(25,26)27/h2-5,7-8,12,14,18,21H,6,9-11,13H2,1H3/t18-,21+/m0/s1
MMDB

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US Patent
n/an/a 60.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The ability of compounds to modulate production of amyloid beta protein Abeta(1-42) was determined using human WT-APP overexpressing CHO cells. Cel...


US Patent US9193726 (2015)

More data for this
Ligand-Target Pair
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