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Compile Data Set for Download or QSAR

Found 199 hits of ec50 data for polymerid = 240,50006916   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Presenilin-1


(Homo sapiens (Human))		BDBM50521243
PNG
(CHEMBL4532868)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccnc(Cl)c1)[C@H]2Nc1nc2N(CCCn2n1)c1ccc(F)c(F)c1 |r,TLB:17:16:3.2:6.8.7,THB:9:7:3.2:16|
Show InChI InChI=1S/C23H24ClF2N7/c24-20-11-16(6-7-27-20)31-12-14-2-3-15(13-31)21(14)28-22-29-23-32(8-1-9-33(23)30-22)17-4-5-18(25)19(26)10-17/h4-7,10-11,14-15,21H,1-3,8-9,12-13H2,(H,28,30)/t14-,15+,21-
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n/an/an/an/a 0.00590n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid beta-42 secretion by cell based AlphaLisa assay

ACS Med Chem Lett 10: 6-7 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00544
BindingDB Entry DOI: 10.7270/Q2JW8J8S
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50521238
PNG
(CHEMBL4589937)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccnc(OC)c1)[C@H]2Nc1nc(N(CC)c2cc(F)cc(F)c2)n(C)n1 |r,TLB:18:17:3.2:6.8.7,THB:9:7:3.2:17|
Show InChI InChI=1S/C24H29F2N7O/c1-4-33(20-10-17(25)9-18(26)11-20)24-29-23(30-31(24)2)28-22-15-5-6-16(22)14-32(13-15)19-7-8-27-21(12-19)34-3/h7-12,15-16,22H,4-6,13-14H2,1-3H3,(H,28,30)/t15-,16+,22-
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n/an/an/an/a 0.00640n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid beta-42 secretion by cell based AlphaLisa assay

ACS Med Chem Lett 10: 6-7 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00544
BindingDB Entry DOI: 10.7270/Q2JW8J8S
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50521241
PNG
(CHEMBL4456936)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2N(CCCn2n1)c1cc(C)cc(F)c1 |r,TLB:17:16:3.2:6.8.7,THB:9:7:3.2:16|
Show InChI InChI=1S/C24H29FN8/c1-15-8-19(25)11-20(9-15)32-6-3-7-33-24(32)29-23(30-33)28-22-17-4-5-18(22)13-31(12-17)21-10-16(2)26-14-27-21/h8-11,14,17-18,22H,3-7,12-13H2,1-2H3,(H,28,30)/t17-,18+,22-
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n/an/an/an/a 0.00920n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid beta-42 secretion by cell based AlphaLisa assay

ACS Med Chem Lett 10: 6-7 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00544
BindingDB Entry DOI: 10.7270/Q2JW8J8S
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50521242
PNG
(CHEMBL4456488)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccnc(OC)c1)[C@H]2Nc1nc2N(CCCn2n1)c1cccc(F)c1 |r,TLB:18:17:3.2:6.8.7,THB:9:7:3.2:17|
Show InChI InChI=1S/C24H28FN7O/c1-33-21-13-19(8-9-26-21)30-14-16-6-7-17(15-30)22(16)27-23-28-24-31(10-3-11-32(24)29-23)20-5-2-4-18(25)12-20/h2,4-5,8-9,12-13,16-17,22H,3,6-7,10-11,14-15H2,1H3,(H,27,29)/t16-,17+,22-
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n/an/an/an/a 0.0103n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid beta-42 secretion by cell based AlphaLisa assay

ACS Med Chem Lett 10: 6-7 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00544
BindingDB Entry DOI: 10.7270/Q2JW8J8S
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50521239
PNG
(CHEMBL4443026)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1cc(Cl)ncn1)[C@H]2Nc1nc2N(CCCn2n1)c1ccc(C)c(F)c1 |r,TLB:17:16:3.2:6.8.7,THB:9:7:3.2:16|
Show InChI InChI=1S/C23H26ClFN8/c1-14-3-6-17(9-18(14)25)32-7-2-8-33-23(32)29-22(30-33)28-21-15-4-5-16(21)12-31(11-15)20-10-19(24)26-13-27-20/h3,6,9-10,13,15-16,21H,2,4-5,7-8,11-12H2,1H3,(H,28,30)/t15-,16+,21-
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n/an/an/an/a 0.0114n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid beta-42 secretion by cell based AlphaLisa assay

ACS Med Chem Lett 10: 6-7 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00544
BindingDB Entry DOI: 10.7270/Q2JW8J8S
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50521244
PNG
(CHEMBL4525398)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2N(CCCn2n1)c1ccc(cc1)C(F)(F)F |r,TLB:17:16:3.2:6.8.7,THB:9:7:3.2:16|
Show InChI InChI=1S/C24H27F3N8/c1-15-11-20(29-14-28-15)33-12-16-3-4-17(13-33)21(16)30-22-31-23-34(9-2-10-35(23)32-22)19-7-5-18(6-8-19)24(25,26)27/h5-8,11,14,16-17,21H,2-4,9-10,12-13H2,1H3,(H,30,32)/t16-,17+,21-
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n/an/an/an/a 0.0117n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid beta-42 secretion by cell based AlphaLisa assay

ACS Med Chem Lett 10: 6-7 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00544
BindingDB Entry DOI: 10.7270/Q2JW8J8S
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50521245
PNG
(CHEMBL4547187)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ncnc(C)c1F)[C@H]2Nc1nc2N(CCCn2n1)c1cccc(F)c1 |r,TLB:18:17:3.2:6.8.7,THB:9:7:3.2:17|
Show InChI InChI=1S/C23H26F2N8/c1-14-19(25)21(27-13-26-14)31-11-15-6-7-16(12-31)20(15)28-22-29-23-32(8-3-9-33(23)30-22)18-5-2-4-17(24)10-18/h2,4-5,10,13,15-16,20H,3,6-9,11-12H2,1H3,(H,28,30)/t15-,16+,20-
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n/an/an/an/a 0.0130n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid beta-42 secretion by cell based AlphaLisa assay

ACS Med Chem Lett 10: 6-7 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00544
BindingDB Entry DOI: 10.7270/Q2JW8J8S
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50521240
PNG
(CHEMBL4535601)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ncnc(C)c1F)[C@H]2Nc1nc(N(CC)c2ccc(F)c(F)c2)n(C)n1 |r,TLB:18:17:3.2:6.8.7,THB:9:7:3.2:17|
Show InChI InChI=1S/C23H27F3N8/c1-4-34(16-7-8-17(24)18(25)9-16)23-30-22(31-32(23)3)29-20-14-5-6-15(20)11-33(10-14)21-19(26)13(2)27-12-28-21/h7-9,12,14-15,20H,4-6,10-11H2,1-3H3,(H,29,31)/t14-,15+,20-
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n/an/an/an/a 0.0139n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as decrease in amyloid beta-42 secretion by cell based AlphaLisa assay

ACS Med Chem Lett 10: 6-7 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00544
BindingDB Entry DOI: 10.7270/Q2JW8J8S
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50241259
PNG
((2S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetam...)
Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O |r|
Show InChI InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1
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n/an/an/an/a 0.114n/an/an/an/a



Emmy Noether Research Group

Curated by ChEMBL


Assay Description
Reduction of human wild type PS1-induced amyloid beta40 level in CHO cells overexpressing human APP751 after 24 hrs by liquid phase electrochemilumin...

J Biol Chem 282: 24504-13 (2007)


Article DOI: 10.1074/jbc.M700618200
BindingDB Entry DOI: 10.7270/Q2M0456G
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50241259
PNG
((2S)-2-((S)-2-(3,5-difluorophenyl)-2-hydroxyacetam...)
Show SMILES C[C@H](NC(=O)[C@@H](O)c1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2-c2ccccc2N(C)C1=O |r|
Show InChI InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1
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n/an/an/an/a 0.135n/an/an/an/a



Emmy Noether Research Group

Curated by ChEMBL


Assay Description
Reduction of human wild type PS1-induced amyloid beta42 level in CHO cells overexpressing human APP751 after 24 hrs by liquid phase electrochemilumin...

J Biol Chem 282: 24504-13 (2007)


Article DOI: 10.1074/jbc.M700618200
BindingDB Entry DOI: 10.7270/Q2M0456G
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577524
PNG
(CHEMBL4862666)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC(C)C(N1)c1ccc(Cl)c(Cl)c1 |t:16|
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n/an/an/an/a 5n/an/an/an/a


TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465355
PNG
(CHEMBL4285214 | US10669276, Example 1)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C25H27FN8O/c1-15-28-14-34(32-15)19-11-8-17(12-20(19)35-5)29-24-30-22(27-4)21-23(31-24)33(13-25(21,2)3)18-9-6-16(26)7-10-18/h6-12,14H,13H2,1-5H3,(H2,27,29,30,31)
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay

ACS Med Chem Lett 9: 290-291 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00086
BindingDB Entry DOI: 10.7270/Q25B055X
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50533417
PNG
(RO 4929097 | RO-4929097 | Rg 4733 | Rg-4733 | Ro49...)
Show SMILES CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O
Show InChI InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Centre Hospitalier Universitaire Vaudois (CHUV)

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase mediated Notch1 signaling in HEK293 cells expressing truncated human Notch1 by luciferase reporter gene assay

J Med Chem 59: 7719-37 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01516
BindingDB Entry DOI: 10.7270/Q2M048X4
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50534353
PNG
(CHEMBL4578751)
Show SMILES COc1cc(Nc2nc3[C@@H](CCCCn3n2)c2ccc(F)cc2)ccc1-n1cnc(C)c1 |r|
Show InChI InChI=1S/C24H25FN6O/c1-16-14-30(15-26-16)21-11-10-19(13-22(21)32-2)27-24-28-23-20(5-3-4-12-31(23)29-24)17-6-8-18(25)9-7-17/h6-11,13-15,20H,3-5,12H2,1-2H3,(H,27,29)/t20-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human H4 cells expressing APP Swedish mutant assessed as inhibition of amyloid beta (1 to 42 residues) production

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50534359
PNG
(CHEMBL4439008)
Show SMILES CC(N1[C@H](C)Cn2c(ccc(-n3cnc(C)c3)c2=O)C1=O)c1coc2cc(F)c(cc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H20F4N4O3/c1-12-8-30(11-29-12)19-4-5-20-23(34)32(13(2)9-31(20)22(19)33)14(3)16-10-35-21-7-18(25)17(6-15(16)21)24(26,27)28/h4-8,10-11,13-14H,9H2,1-3H3/t13-,14?/m1/s1
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FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human SK-N-BE(2) cells expressing human APP695 assessed as reduction in amyloid beta 42 production incubated overnig...

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50534360
PNG
(CHEMBL4538043)
Show SMILES COc1cc(ccc1-n1cnc(C)c1)-c1csc(n1)N1CCCn2nc3CCCCc3c12
Show InChI InChI=1S/C24H26N6OS/c1-16-13-28(15-25-16)21-9-8-17(12-22(21)31-2)20-14-32-24(26-20)29-10-5-11-30-23(29)18-6-3-4-7-19(18)27-30/h8-9,12-15H,3-7,10-11H2,1-2H3
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FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human SH-SY5Y cells expressing human APP751 assessed as reduction in amyloid beta 42 production after 16 to 18 hrs b...

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50458163
PNG
(CHEMBL4209316)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN7O/c1-14-27-13-32(31-14)20-11-8-17(12-21(20)33-3)28-24-29-22-18(15-4-6-16(25)7-5-15)9-10-19(22)23(26-2)30-24/h4-8,11-13,18H,9-10H2,1-3H3,(H2,26,28,29,30)/t18-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase (unknown origin) assessed as inhibition of amyloid beta 42 production

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465354
PNG
(CHEMBL4293045 | US10669276, Example 4)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(Cl)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C25H25ClFN7O/c1-25(2)13-34(17-8-5-15(27)6-9-17)23-21(25)22(28-3)31-24(32-23)30-16-7-10-18(19(11-16)35-4)33-12-20(26)29-14-33/h5-12,14H,13H2,1-4H3,(H2,28,30,31,32)
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay

ACS Med Chem Lett 9: 290-291 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00086
BindingDB Entry DOI: 10.7270/Q25B055X
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
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FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in CHO cells expressing human APP assessed as reduction in amyloid beta (1 to 42 residues) production after 24 hrs by E...

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465362
PNG
(CHEMBL4286544)
Show SMILES CNc1nc(Nc2ccc(c(F)c2)-n2cnc(C)n2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N8/c1-15-29-14-35(33-15)20-10-7-17(13-19(20)27)30-24-31-22(28-4)21-23(32-24)34(12-11-25(21,2)3)18-8-5-16(26)6-9-18/h5-10,13-14H,11-12H2,1-4H3,(H2,28,30,31,32)
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay

ACS Med Chem Lett 9: 290-291 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00086
BindingDB Entry DOI: 10.7270/Q25B055X
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465357
PNG
(CHEMBL4283902 | US10669276, Example 25)
Show SMILES CNc1nc(Nc2cnc(c(F)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C24H24F2N8/c1-14-11-33(13-29-14)21-18(26)9-16(10-28-21)30-23-31-20(27-4)19-22(32-23)34(12-24(19,2)3)17-7-5-15(25)6-8-17/h5-11,13H,12H2,1-4H3,(H2,27,30,31,32)
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay

ACS Med Chem Lett 9: 290-291 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00086
BindingDB Entry DOI: 10.7270/Q25B055X
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577511
PNG
(CHEMBL4864477)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(Cl)c(c1)C(F)(F)F |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577522
PNG
(CHEMBL4848087)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC(C)C(N1)c1ccc(Cl)c(F)c1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465360
PNG
(CHEMBL4294948 | US10669276, Example 28)
Show SMILES COc1cc(Nc2nc3N(CC(C)(C)c3c(NCCO)n2)c2ccc(F)cc2)ccc1-n1cnc(C)n1
Show InChI InChI=1S/C26H29FN8O2/c1-16-29-15-35(33-16)20-10-7-18(13-21(20)37-4)30-25-31-23(28-11-12-36)22-24(32-25)34(14-26(22,2)3)19-8-5-17(27)6-9-19/h5-10,13,15,36H,11-12,14H2,1-4H3,(H2,28,30,31,32)
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay

ACS Med Chem Lett 9: 290-291 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00086
BindingDB Entry DOI: 10.7270/Q25B055X
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
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FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in CHO cells expressing human APP assessed as reduction in amyloid beta (1 to 42 residues) production after 24 hrs by E...

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577525
PNG
(CHEMBL4848062)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC(C2CC2)C(N1)c1ccc(Cl)cc1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577518
PNG
(CHEMBL4855120)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1cc(Cl)cc(Cl)c1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577514
PNG
(CHEMBL4868749)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(c(Cl)c1)C(F)(F)F |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577508
PNG
(CHEMBL4848661)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(Cl)c(Cl)c1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577509
PNG
(CHEMBL4850647)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(Cl)c(C)c1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50534358
PNG
(CHEMBL4435318)
Show SMILES CCn1cc(C(C)N2[C@H](C)Cn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)c2cc(Cl)c(F)cc12 |r|
Show InChI InChI=1S/C25H25ClFN5O2/c1-5-29-12-18(17-8-19(26)20(27)9-23(17)29)16(4)32-15(3)11-31-22(25(32)34)7-6-21(24(31)33)30-10-14(2)28-13-30/h6-10,12-13,15-16H,5,11H2,1-4H3/t15-,16?/m1/s1
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FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human SK-N-BE(2) cells expressing human APP695 assessed as reduction in amyloid beta 42 production incubated overnig...

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577501
PNG
(CHEMBL4851690)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(cc1)C(C)(C)C |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM28922
PNG
((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...)
Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114169
BindingDB Entry DOI: 10.7270/Q2HD80PD
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577513
PNG
(CHEMBL4865396)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(C2CC2)c(Cl)c1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465363
PNG
(CHEMBL4278310 | US10669276, Example 35)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C26H29FN8O/c1-16-29-15-35(33-16)20-11-8-18(14-21(20)36-5)30-25-31-23(28-4)22-24(32-25)34(13-12-26(22,2)3)19-9-6-17(27)7-10-19/h6-11,14-15H,12-13H2,1-5H3,(H2,28,30,31,32)
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay

ACS Med Chem Lett 9: 290-291 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00086
BindingDB Entry DOI: 10.7270/Q25B055X
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577510
PNG
(CHEMBL4858970)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(Cl)c(c1)C1CC1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465077
PNG
(CHEMBL4282341)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1cc(C)ncn1)[C@H]2Nc1nc2N(CC(C)(C)c2c(NC)n1)c1ccc(F)cc1 |r,TLB:17:16:3.2:6.8.7,THB:9:7:3.2:16|
Show InChI InChI=1S/C27H33FN8/c1-16-11-21(31-15-30-16)35-12-17-5-6-18(13-35)23(17)32-26-33-24(29-4)22-25(34-26)36(14-27(22,2)3)20-9-7-19(28)8-10-20/h7-11,15,17-18,23H,5-6,12-14H2,1-4H3,(H2,29,32,33,34)/t17-,18+,23-
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid beta (1 to 42) production after 60 mins by cell based AlphaLisa assay

ACS Med Chem Lett 9: 165-166 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00043
BindingDB Entry DOI: 10.7270/Q20R9S3G
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465361
PNG
(CHEMBL4293005)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)c2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1
Show InChI InChI=1S/C24H29F2N7O/c1-14-11-32(13-28-14)17-7-6-15(8-18(17)34-5)29-22-30-20(27-4)19-21(31-22)33(12-23(19,2)3)16-9-24(25,26)10-16/h6-8,11,13,16H,9-10,12H2,1-5H3,(H2,27,29,30,31)
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Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay

ACS Med Chem Lett 9: 290-291 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00086
BindingDB Entry DOI: 10.7270/Q25B055X
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50533417
PNG
(RO 4929097 | RO-4929097 | Rg 4733 | Rg-4733 | Ro49...)
Show SMILES CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O
Show InChI InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
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Centre Hospitalier Universitaire Vaudois (CHUV)

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in HEK293 cells expressing APP695 assessed as reduction in amyloid beta (1 to 40 residues) by ELISA

J Med Chem 59: 7719-37 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01516
BindingDB Entry DOI: 10.7270/Q2M048X4
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50534367
PNG
(CHEMBL4470238)
Show SMILES COc1cc(Nc2ncc3OCCN(c4cc(F)cc(F)c4)c3n2)ccc1-n1cnc(C)c1
Show InChI InChI=1S/C23H20F2N6O2/c1-14-12-30(13-27-14)19-4-3-17(10-20(19)32-2)28-23-26-11-21-22(29-23)31(5-6-33-21)18-8-15(24)7-16(25)9-18/h3-4,7-13H,5-6H2,1-2H3,(H,26,28,29)
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n/an/an/an/a 14n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human H4 cells expressing human APP751 assessed as reduction in amyloid beta 42 production after 16 to 18 hrs by san...

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
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
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n/an/an/an/a 14n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in CHO cells expressing human APP assessed as reduction in amyloid beta (1 to 42 residues) production after 24 hrs by E...

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577512
PNG
(CHEMBL4873343)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(C)c(Cl)c1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577523
PNG
(CHEMBL4869387)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC(C)C(N1)c1cccc(Cl)c1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM28922
PNG
((2S)-N-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-1-h...)
Show SMILES OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m1/s1
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n/an/an/an/a 15n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114169
BindingDB Entry DOI: 10.7270/Q2HD80PD
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465358
PNG
(CHEMBL4284649 | US10669276, Example 31)
Show SMILES Cc1ncn(n1)-c1ccc(Nc2nc3N(CC(C)(C)c3c(NCCO)n2)c2ccc(F)cc2)cc1F
Show InChI InChI=1S/C25H26F2N8O/c1-15-29-14-35(33-15)20-9-6-17(12-19(20)27)30-24-31-22(28-10-11-36)21-23(32-24)34(13-25(21,2)3)18-7-4-16(26)5-8-18/h4-9,12,14,36H,10-11,13H2,1-3H3,(H2,28,30,31,32)
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n/an/an/an/a 15n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human H4 cells harboring APP695 K595N/M596L swedish mutant after 24 hrs by AlphaLisa assay

ACS Med Chem Lett 9: 290-291 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00086
BindingDB Entry DOI: 10.7270/Q25B055X
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577521
PNG
(CHEMBL4851284)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOC(C)C(N1)c1ccc(Cl)cc1 |t:16|
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TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50534365
PNG
(CHEMBL4591885)
Show SMILES COc1cc(Nc2ncc3OC[C@@H](N(C)c3n2)c2ccccc2)ccc1-n1cnc(C)c1 |r|
Show InChI InChI=1S/C24H24N6O2/c1-16-13-30(15-26-16)19-10-9-18(11-21(19)31-3)27-24-25-12-22-23(28-24)29(2)20(14-32-22)17-7-5-4-6-8-17/h4-13,15,20H,14H2,1-3H3,(H,25,27,28)/t20-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human H4 cells expressing human APP751 assessed as reduction in amyloid beta 42 production after 16 to 18 hrs by san...

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50534369
PNG
(E-2212 | E2212)
Show SMILES COc1nc(\C=C\c2nc3[C@@H](CCCn3n2)c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 |r|
Show InChI InChI=1S/C25H23F3N6O/c1-16-14-33(15-29-16)21-11-9-17(30-24(21)35-2)10-12-22-31-23-19(7-5-13-34(23)32-22)18-6-3-4-8-20(18)25(26,27)28/h3-4,6,8-12,14-15,19H,5,7,13H2,1-2H3/b12-10+/t19-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase assessed as inhibition of amyloid beta (1 to 42 residues) production by ELISA

J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
BindingDB Entry DOI: 10.7270/Q2B56P74
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50465076
PNG
(CHEMBL4290617)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1ccnnc1)[C@H]2Nc1nc2N(CC(C)(C)c2c(NC)n1)c1ccc(F)cc1 |r,TLB:16:15:3.2:6.8.7,THB:9:7:3.2:15|
Show InChI InChI=1S/C26H31FN8/c1-26(2)15-35(19-8-6-18(27)7-9-19)24-21(26)23(28-3)32-25(33-24)31-22-16-4-5-17(22)14-34(13-16)20-10-11-29-30-12-20/h6-12,16-17,22H,4-5,13-15H2,1-3H3,(H2,28,31,32,33)/t16-,17+,22-
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n/an/an/an/a 19n/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) assessed as reduction in amyloid beta (1 to 42) production after 60 mins by cell based AlphaLisa assay

ACS Med Chem Lett 9: 165-166 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00043
BindingDB Entry DOI: 10.7270/Q20R9S3G
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50577516
PNG
(CHEMBL4855162)
Show SMILES COc1nc(ccc1-n1cnc(C)c1)C1=NOCC(N1)c1ccc(F)c(c1)C(F)(F)F |t:16|
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n/an/an/an/a 19n/an/an/an/a


TBA

Assay Description
Modulation of gamma-secretase in human H4 cells expressing human wild type APP751 assessed as reduction in amyloid beta42 level incubated overnight b...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00904
BindingDB Entry DOI: 10.7270/Q2RV0SJR
More data for this
Ligand-Target Pair
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