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Compile Data Set for Download or QSAR

Found 241 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 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))
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))
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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US Patent
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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Article
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))
BDBM50150477
PNG
(CHEMBL3769686)
Show SMILES Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccc(F)cc4)sc3CCc2c1
Show InChI InChI=1S/C22H19FN4S/c1-14-12-27(13-24-14)18-7-8-19-16(11-18)4-9-20-22(25-19)26-21(28-20)10-15-2-5-17(23)6-3-15/h2-3,5-8,11-13,25H,4,9-10H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production


Bioorg Med Chem Lett 26: 1498-502 (2016)

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))
BDBM50151298
PNG
(CHEMBL3769869)
Show SMILES COc1cc(Nc2nc(N(C)C)c3C=CCN=C(c4ccccc4)c3n2)ccc1-n1cnc(Cl)c1
Show InChI InChI=1S/C26H24ClN7O/c1-33(2)25-19-10-7-13-28-23(17-8-5-4-6-9-17)24(19)31-26(32-25)30-18-11-12-20(21(14-18)35-3)34-15-22(27)29-16-34/h4-12,14-16H,13H2,1-3H3,(H,30,31,32)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA


Bioorg Med Chem Lett 26: 1554-7 (2016)

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
MMDB

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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))
BDBM50150519
PNG
(CHEMBL3769487)
Show SMILES CNc1nc(Cc2ccccc2)nc(Nc2ccc(c(OC)c2)-n2cnc(C)c2)n1
Show InChI InChI=1S/C22H23N7O/c1-15-13-29(14-24-15)18-10-9-17(12-19(18)30-3)25-22-27-20(26-21(23-2)28-22)11-16-7-5-4-6-8-16/h4-10,12-14H,11H2,1-3H3,(H2,23,25,26,27,28)
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells transfected with APP751 SWE clone 8.20 mutant assessed as inhibition of amyloid beta (1 to 42) produc...


Bioorg Med Chem Lett 26: 1498-502 (2016)

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
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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))
BDBM50151299
PNG
(CHEMBL3770867)
Show SMILES COc1cc(Nc2nc3C(NCC=Cc3c(n2)N(C)C)c2ccccc2)ccc1-n1cnc(Cl)c1
Show InChI InChI=1/C26H26ClN7O/c1-33(2)25-19-10-7-13-28-23(17-8-5-4-6-9-17)24(19)31-26(32-25)30-18-11-12-20(21(14-18)35-3)34-15-22(27)29-16-34/h4-12,14-16,23,28H,13H2,1-3H3,(H,30,31,32)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase activity (unknown origin) assessed as amyloid-beta(1-42) production by ELISA


Bioorg Med Chem Lett 26: 1554-7 (2016)

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 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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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))
BDBM50150507
PNG
(CHEMBL3771055)
Show SMILES Clc1cn(cn1)-c1ccc2Nc3nn(Cc4ccccc4)cc3CCc2c1
Show InChI InChI=1S/C21H18ClN5/c22-20-13-26(14-23-20)18-8-9-19-16(10-18)6-7-17-12-27(25-21(17)24-19)11-15-4-2-1-3-5-15/h1-5,8-10,12-14H,6-7,11H2,(H,24,25)
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells assessed as inhibition of amyloid beta (1 to 42) production


Bioorg Med Chem Lett 26: 1498-502 (2016)

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
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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
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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
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