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Compile Data Set for Download or QSAR

Found 132 hits Enz. Inhib. hit(s) with Target = 'Gamma-Secretase Subunit 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
Gamma-Secretase Subunit 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 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
Gamma-Secretase Subunit 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
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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
Gamma-Secretase Subunit 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 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
Gamma-Secretase Subunit 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
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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
Gamma-Secretase Subunit 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 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
Gamma-Secretase Subunit 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
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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
Gamma-Secretase Subunit 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 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
Gamma-Secretase Subunit 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
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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
Gamma-Secretase Subunit 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
Gamma-Secretase Subunit 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
Gamma-Secretase Subunit 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
Gamma-Secretase Subunit 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
Gamma-Secretase Subunit 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
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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
Gamma-Secretase Subunit 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
Gamma-Secretase Subunit 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
Gamma-Secretase Subunit 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
Gamma-Secretase Subunit 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
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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
Gamma-Secretase Subunit Presenilin-1


(Homo sapiens (human))
BDBM50393459
PNG
(CHEMBL2159688)
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-/m1/s1
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n/an/a 320n/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
Gamma-Secretase Subunit Presenilin-1


(Homo sapiens (human))
BDBM50393458
PNG
(CHEMBL2159686)
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-/m1/s1
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n/an/a 377n/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
Gamma-Secretase Subunit Presenilin-1


(Homo sapiens (human))
BDBM50062727
PNG
(CHEMBL3397721)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C33H29F6NO5/c1-3-4-5-22(31(41)42)15-23-16-25(11-13-28(23)45-18-20-6-9-24(10-7-20)32(34,35)36)44-19-21-8-12-27-26(14-21)29(43-2)17-30(40-27)33(37,38)39/h6-17H,3-5,18-19H2,1-2H3,(H,41,42)/b22-15+
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n/an/a 630n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062731
PNG
(CHEMBL3397717)
Show SMILES CCCC\C(=C/c1cc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H25F9O4/c1-2-3-4-20(27(40)41)13-21-14-25(9-10-26(21)43-16-18-5-7-22(8-6-18)28(31,32)33)42-17-19-11-23(29(34,35)36)15-24(12-19)30(37,38)39/h5-15H,2-4,16-17H2,1H3,(H,40,41)/b20-13+
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n/an/a 790n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062726
PNG
(CHEMBL3397727)
Show SMILES CCCC\C(=C/c1cc(OCC2CCC(CC2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C29H32F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h7-8,11-16,19,23H,2-6,9-10,17-18H2,1H3,(H,36,37)/b21-15+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50396066
PNG
(CHEMBL1819479)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C29H26F6O4/c1-2-3-4-21(27(36)37)15-22-16-25(38-17-19-5-9-23(10-6-19)28(30,31)32)13-14-26(22)39-18-20-7-11-24(12-8-20)29(33,34)35/h5-16H,2-4,17-18H2,1H3,(H,36,37)/b21-15+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062723
PNG
(CHEMBL3397728)
Show SMILES CCCC\C(=C/c1cc(OCCc2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H28F6O4/c1-2-3-4-22(28(37)38)17-23-18-26(39-16-15-20-5-9-24(10-6-20)29(31,32)33)13-14-27(23)40-19-21-7-11-25(12-8-21)30(34,35)36/h5-14,17-18H,2-4,15-16,19H2,1H3,(H,37,38)/b22-17+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062730
PNG
(CHEMBL3397716)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H25Cl2F3O4/c1-2-3-4-20(27(34)35)14-21-15-23(36-17-19-7-11-24(29)25(30)13-19)10-12-26(21)37-16-18-5-8-22(9-6-18)28(31,32)33/h5-15H,2-4,16-17H2,1H3,(H,34,35)/b20-14+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062721
PNG
(CHEMBL3397724)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCCN3CCOCC3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C34H38F3NO6/c1-2-3-4-27(33(39)40)21-28-22-31(13-14-32(28)44-24-25-5-9-29(10-6-25)34(35,36)37)43-23-26-7-11-30(12-8-26)42-20-17-38-15-18-41-19-16-38/h5-14,21-22H,2-4,15-20,23-24H2,1H3,(H,39,40)/b27-21+
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n/an/a 2.20E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062728
PNG
(CHEMBL3397720)
Show SMILES CCCC\C(=C/c1cc(OCc2csc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H27F6NO4S/c1-2-3-4-22(30(40)41)15-23-16-27(13-14-28(23)43-17-20-5-9-24(10-6-20)31(33,34)35)42-18-26-19-44-29(39-26)21-7-11-25(12-8-21)32(36,37)38/h5-16,19H,2-4,17-18H2,1H3,(H,40,41)/b22-15+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50436209
PNG
(CHEMBL2398571)
Show SMILES CC(C(O)=O)c1ccc2c(c1)n(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1ccc(Cl)cc21
Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...


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


(Homo sapiens (human))
BDBM50062718
PNG
(CHEMBL3397711)
Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+
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n/an/a 4.10E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062733
PNG
(CHEMBL3397719)
Show SMILES CCCC\C(=C/c1cc(OCc2cc3ccccc3s2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C30H27F3O4S/c1-2-3-6-22(29(34)35)15-23-16-25(36-19-26-17-21-7-4-5-8-28(21)38-26)13-14-27(23)37-18-20-9-11-24(12-10-20)30(31,32)33/h4-5,7-17H,2-3,6,18-19H2,1H3,(H,34,35)/b22-15+
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n/an/a 4.60E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062736
PNG
(CHEMBL3397712)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(CCCC)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H35F3O4/c1-3-5-7-23-9-11-24(12-10-23)21-38-29-17-18-30(27(20-29)19-26(31(36)37)8-6-4-2)39-22-25-13-15-28(16-14-25)32(33,34)35/h9-20H,3-8,21-22H2,1-2H3,(H,36,37)/b26-19+
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n/an/a 4.90E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062724
PNG
(CHEMBL3397723)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(Oc3ccccn3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C33H30F3NO5/c1-2-3-6-25(32(38)39)19-26-20-29(16-17-30(26)41-22-23-8-12-27(13-9-23)33(34,35)36)40-21-24-10-14-28(15-11-24)42-31-7-4-5-18-37-31/h4-5,7-20H,2-3,6,21-22H2,1H3,(H,38,39)/b25-19+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50322460
PNG
(2-(4,6-Bis(2-cyclohexylethoxy)pyrimidin-2-ylthio)h...)
Show SMILES CCCCC(Sc1nc(OCCC2CCCCC2)cc(OCCC2CCCCC2)n1)C(O)=O
Show InChI InChI=1S/C26H42N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h19-22H,2-18H2,1H3,(H,29,30)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062729
PNG
(CHEMBL3397715)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(F)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H26F4O4/c1-2-3-4-21(27(33)34)15-22-16-25(35-17-20-7-11-24(29)12-8-20)13-14-26(22)36-18-19-5-9-23(10-6-19)28(30,31)32/h5-16H,2-4,17-18H2,1H3,(H,33,34)/b21-15+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062734
PNG
(CHEMBL3397714)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C35H33F3O5/c1-2-3-9-28(34(39)40)20-29-21-32(18-19-33(29)43-24-26-10-14-30(15-11-26)35(36,37)38)42-23-27-12-16-31(17-13-27)41-22-25-7-5-4-6-8-25/h4-8,10-21H,2-3,9,22-24H2,1H3,(H,39,40)/b28-20+
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n/an/a 8.50E+3n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50436218
PNG
(CHEMBL2398573)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C31H52O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-31(8)19-17-27-26(7)29(34-20-28(32)33)24(5)25(6)30(27)35-31/h21-23H,9-20H2,1-8H3,(H,32,33)/t22-,23-,31?/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...


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


(Homo sapiens (human))
BDBM50062722
PNG
(CHEMBL3397726)
Show SMILES CCCC\C(=C/c1cc(OCC(c2ccccc2)c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C35H33F3O4/c1-2-3-10-28(34(39)40)21-29-22-31(19-20-33(29)42-23-25-15-17-30(18-16-25)35(36,37)38)41-24-32(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-22,32H,2-3,10,23-24H2,1H3,(H,39,40)/b28-21+
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n/an/a 1.14E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062720
PNG
(CHEMBL3397708)
Show SMILES CCCC\C(=C/c1cc(ccc1OCc1ccc(cc1)C(F)(F)F)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H25F3O3/c1-2-3-7-22(26(31)32)17-23-16-21(20-8-5-4-6-9-20)12-15-25(23)33-18-19-10-13-24(14-11-19)27(28,29)30/h4-6,8-17H,2-3,7,18H2,1H3,(H,31,32)/b22-17+
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n/an/a 1.19E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062735
PNG
(CHEMBL3397713)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)-c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C34H31F3O4/c1-2-3-7-28(33(38)39)20-29-21-31(40-22-24-10-14-27(15-11-24)26-8-5-4-6-9-26)18-19-32(29)41-23-25-12-16-30(17-13-25)34(35,36)37/h4-6,8-21H,2-3,7,22-23H2,1H3,(H,38,39)/b28-20+
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n/an/a 1.19E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50436206
PNG
(CHEMBL2398567)
Show SMILES CCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C27H42O6/c1-6-7-8-9-10-11-12-13-14-17-31-26(30)27(5)16-15-22-21(4)24(32-18-23(28)29)19(2)20(3)25(22)33-27/h6-18H2,1-5H3,(H,28,29)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...


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


(Homo sapiens (human))
BDBM50436217
PNG
(CHEMBL2398574)
Show SMILES CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C31H52O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-31(8)19-17-27-26(7)29(34-20-28(32)33)24(5)25(6)30(27)35-31/h21-23H,9-20H2,1-8H3,(H,32,33)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...


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


(Homo sapiens (human))
BDBM50436214
PNG
(CHEMBL2398577)
Show SMILES CCCCCCCCCCCCCCOc1c(C)c(C)c2OC(C)(CCc2c1C)C(O)=O
Show InChI InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-31-25-21(2)22(3)26-24(23(25)4)18-19-28(5,32-26)27(29)30/h6-20H2,1-5H3,(H,29,30)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...


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


(Homo sapiens (human))
BDBM50062719
PNG
(CHEMBL3397709)
Show SMILES CCCC\C(=C/c1cc(Oc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C27H25F3O4/c1-2-3-7-20(26(31)32)16-21-17-24(34-23-8-5-4-6-9-23)14-15-25(21)33-18-19-10-12-22(13-11-19)27(28,29)30/h4-6,8-17H,2-3,7,18H2,1H3,(H,31,32)/b20-16+
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n/an/a 1.49E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062621
PNG
(CHEMBL3397710)
Show SMILES CCCC\C(=C/c1cc(OCc2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C28H27F3O4/c1-2-3-9-22(27(32)33)16-23-17-25(34-18-20-7-5-4-6-8-20)14-15-26(23)35-19-21-10-12-24(13-11-21)28(29,30)31/h4-8,10-17H,2-3,9,18-19H2,1H3,(H,32,33)/b22-16+
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n/an/a 1.93E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50062725
PNG
(CHEMBL3397722)
Show SMILES CCCC\C(=C/c1cc(OCc2ccc(cc2)-c2csc(C)n2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H30F3NO4S/c1-3-4-5-25(31(37)38)16-26-17-28(39-18-22-6-10-24(11-7-22)29-20-41-21(2)36-29)14-15-30(26)40-19-23-8-12-27(13-9-23)32(33,34)35/h6-17,20H,3-5,18-19H2,1-2H3,(H,37,38)/b25-16+
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n/an/a 2.02E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50436207
PNG
(CHEMBL2398568)
Show SMILES CCCCCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C30H48O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-34-29(33)30(5)19-18-25-24(4)27(35-21-26(31)32)22(2)23(3)28(25)36-30/h6-21H2,1-5H3,(H,31,32)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...


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


(Homo sapiens (human))
BDBM50273683
PNG
(2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic aci...)
Show SMILES CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
Show InChI InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)
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n/an/a 2.28E+4n/an/an/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...


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


(Homo sapiens (human))
BDBM50436206
PNG
(CHEMBL2398567)
Show SMILES CCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C27H42O6/c1-6-7-8-9-10-11-12-13-14-17-31-26(30)27(5)16-15-22-21(4)24(32-18-23(28)29)19(2)20(3)25(22)33-27/h6-18H2,1-5H3,(H,28,29)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 40 genera...


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


(Homo sapiens (human))
BDBM50436208
PNG
(CHEMBL2398572)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\Cn1c2ccc(Cl)cc2c2ccc(cc12)C(C)C(O)=O
Show InChI InChI=1S/C35H50ClNO2/c1-24(2)10-7-11-25(3)12-8-13-26(4)14-9-15-27(5)20-21-37-33-19-17-30(36)23-32(33)31-18-16-29(22-34(31)37)28(6)35(38)39/h16-20,22-26,28H,7-15,21H2,1-6H3,(H,38,39)/b27-20+/t25-,26-,28?/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...


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


(Homo sapiens (human))
BDBM50436211
PNG
(CHEMBL2398569)
Show SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C36H58O6/c1-24(2)13-10-14-25(3)15-11-16-26(4)17-12-18-27(5)20-22-40-35(39)36(9)21-19-31-30(8)33(41-23-32(37)38)28(6)29(7)34(31)42-36/h20,24-26H,10-19,21-23H2,1-9H3,(H,37,38)/b27-20+/t25-,26-,36?/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as decrease in amyloid beta 42 genera...


Citation and Details
More data for this
Ligand-Target Pair
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