BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2416 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Presenilin-1


(Homo sapiens (Human))
BDBM50521243
PNG
(CHEMBL4532868)
Show SMILES Fc1ccc(cc1F)N1CCCn2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3ccnc(Cl)c3)nc12
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50521238
PNG
(CHEMBL4589937)
Show SMILES CCN(c1nc(N[C@H]2[C@H]3CC[C@@H]2CN(C3)c2ccnc(OC)c2)nn1C)c1cc(F)cc(F)c1
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50521241
PNG
(CHEMBL4456936)
Show SMILES Cc1cc(F)cc(c1)N1CCCn2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cc(C)ncn3)nc12
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50521242
PNG
(CHEMBL4456488)
Show SMILES COc1cc(ccn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2N(CCCn2n1)c1cccc(F)c1
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50521239
PNG
(CHEMBL4443026)
Show SMILES Cc1ccc(cc1F)N1CCCn2nc(N[C@H]3[C@H]4CC[C@@H]3CN(C4)c3cc(Cl)ncn3)nc12
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50521244
PNG
(CHEMBL4525398)
Show SMILES Cc1cc(ncn1)N1C[C@@H]2CC[C@H](C1)[C@H]2Nc1nc2N(CCCn2n1)c1ccc(cc1)C(F)(F)F
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50521245
PNG
(CHEMBL4547187)
Show SMILES Cc1ncnc(N2C[C@@H]3CC[C@H](C2)[C@H]3Nc2nc3N(CCCn3n2)c2cccc(F)c2)c1F
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50521240
PNG
(CHEMBL4535601)
Show SMILES CCN(c1nc(N[C@H]2[C@H]3CC[C@@H]2CN(C3)c2ncnc(C)c2F)nn1C)c1ccc(F)c(F)c1
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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))
BDBM50533417
PNG
(RG-4733 | RO 4929097 | RO-4929097 | Rg 4733 | Rg-4...)
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5n/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))
BDBM50534353
PNG
(CHEMBL4578751)
Show SMILES COc1cc(Nc2nc3[C@@H](CCCCn3n2)c2ccc(F)cc2)ccc1-n1cnc(C)c1
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



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
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/an/an/an/a



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
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7n/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))
BDBM50458163
PNG
(CHEMBL4209316)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8n/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))
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8n/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))
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/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
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8n/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))
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9n/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
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
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



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
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/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))
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/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))
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50465077
PNG
(CHEMBL4282341)
Show SMILES CNc1nc(N[C@H]2[C@H]3CC[C@@H]2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/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))
BDBM50533417
PNG
(RG-4733 | RO 4929097 | RO-4929097 | Rg 4733 | Rg-4...)
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



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
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50534365
PNG
(CHEMBL4591885)
Show SMILES COc1cc(Nc2ncc3OC[C@@H](N(C)c3n2)c2ccccc2)ccc1-n1cnc(C)c1
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
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
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
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50465076
PNG
(CHEMBL4290617)
Show SMILES CNc1nc(N[C@H]2[C@H]3CC[C@@H]2CN(C3)c2ccnnc2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
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-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50534352
PNG
(CHEMBL4445103)
Show SMILES COc1cc2[nH]c(cc2cc1C#N)-c1cn2CCOC(c2n1)c1cccc(F)c1C
Show InChI InChI=1S/C23H19FN4O2/c1-13-16(4-3-5-17(13)24)22-23-27-20(12-28(23)6-7-30-22)19-9-14-8-15(11-25)21(29-2)10-18(14)26-19/h3-5,8-10,12,22,26H,6-7H2,1-2H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50534372
PNG
(CHEMBL4537084)
Show SMILES COc1cc2[nH]c(cc2cc1C#N)-c1cn2CCOC(c2n1)c1ccccc1Cl
Show InChI InChI=1S/C22H17ClN4O2/c1-28-20-10-17-13(8-14(20)11-24)9-18(25-17)19-12-27-6-7-29-21(22(27)26-19)15-4-2-3-5-16(15)23/h2-5,8-10,12,21,25H,6-7H2,1H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 21n/an/an/an/a



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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50534376
PNG
(CHEMBL4473068)
Show SMILES COc1cc(Nc2ncc3N(CC(F)(F)F)C(=O)C4(CCCC4)N(C)c3n2)ccc1-n1cnc(C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-15-12-33(14-29-15)17-7-6-16(10-19(17)36-3)30-22-28-11-18-20(31-22)32(2)23(8-4-5-9-23)21(35)34(18)13-24(25,26)27/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3,(H,28,30,31)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human H4 cells expressing human APP695 assessed as reduction in amyloid beta 42 production after 22 hrs by electroch...


J Med Chem 59: 7389-409 (2016)


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


(Homo sapiens (Human))
BDBM50121374
PNG
(CHEMBL3622117)
Show SMILES COc1cc(ccn1)N1CCC(CC1)Nc1ncc2OCCN(c3ccccc3)c2n1
Show InChI InChI=1S/C23H26N6O2/c1-30-21-15-19(7-10-24-21)28-11-8-17(9-12-28)26-23-25-16-20-22(27-23)29(13-14-31-20)18-5-3-2-4-6-18/h2-7,10,15-17H,8-9,11-14H2,1H3,(H,25,26,27)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50534362
PNG
(CHEMBL2151100)
Show SMILES CCc1cc(Nc2nc(cs2)-c2ccc(c(F)c2)-n2cnc(C)c2)c(C)cc1C
Show InChI InChI=1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 29n/an/an/an/a



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 18 to 22 hrs b...


J Med Chem 59: 7389-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01960
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)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 29n/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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50465356
PNG
(CHEMBL4289270 | US10669276, Example 16)
Show SMILES CNc1nc(Nc2ccc(-c3cnc(C)o3)c(F)c2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N6O/c1-14-29-12-20(34-14)18-10-7-16(11-19(18)27)30-24-31-22(28-4)21-23(32-24)33(13-25(21,2)3)17-8-5-15(26)6-9-17/h5-12H,13H2,1-4H3,(H2,28,30,31,32)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 30n/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))
BDBM50534361
PNG
(CHEMBL4445443)
Show SMILES CCn1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1
Show InChI InChI=1S/C22H25N7OS/c1-4-29-20(15-7-5-6-8-16(15)27-29)26-22-25-18(12-31-22)17-9-10-19(21(24-17)30-3)28-11-14(2)23-13-28/h9-13H,4-8H2,1-3H3,(H,25,26)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 30n/an/an/an/a



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 24 hrs by sand...


J Med Chem 59: 7389-409 (2016)


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


(Homo sapiens (Human))
BDBM50465359
PNG
(CHEMBL4279052 | US10669276, Example 11)
Show SMILES CNc1nc(Nc2ccc(c(F)c2)-n2cc(C)nc2C)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C26H27F2N7/c1-15-13-34(16(2)30-15)21-11-8-18(12-20(21)28)31-25-32-23(29-5)22-24(33-25)35(14-26(22,3)4)19-9-6-17(27)7-10-19/h6-13H,14H2,1-5H3,(H2,29,31,32,33)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 33n/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))
BDBM50465079
PNG
(CHEMBL4290214)
Show SMILES CNc1nc(N[C@H]2[C@H]3CC[C@@H]2CN(C3)c2nnc(C)o2)nc2N(CC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C25H31FN8O/c1-14-31-32-24(35-14)33-11-15-5-6-16(12-33)20(15)28-23-29-21(27-4)19-22(30-23)34(13-25(19,2)3)18-9-7-17(26)8-10-18/h7-10,15-16,20H,5-6,11-13H2,1-4H3,(H2,27,28,29,30)/t15-,16+,20-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 34n/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))
BDBM50465078
PNG
(CHEMBL4293906)
Show SMILES CNc1nc(N[C@H]2[C@H]3CC[C@@H]2CN(C3)c2cc(C)ncn2)nc2N(CCC(C)(C)c12)c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN8/c1-17-13-22(32-16-31-17)36-14-18-5-6-19(15-36)24(18)33-27-34-25(30-4)23-26(35-27)37(12-11-28(23,2)3)21-9-7-20(29)8-10-21/h7-10,13,16,18-19,24H,5-6,11-12,14-15H2,1-4H3,(H2,30,33,34,35)/t18-,19+,24-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 35n/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))
BDBM50465080
PNG
(CHEMBL4278756)
Show SMILES CNc1nc(N[C@H]2[C@H]3CC[C@@H]2CN(C3)c2cc(C)ncn2)nc2N(CC(C)(C)c12)C1CC(F)(F)C1
Show InChI InChI=1S/C25H34F2N8/c1-14-7-18(30-13-29-14)34-10-15-5-6-16(11-34)20(15)31-23-32-21(28-4)19-22(33-23)35(12-24(19,2)3)17-8-25(26,27)9-17/h7,13,15-17,20H,5-6,8-12H2,1-4H3,(H2,28,31,32,33)/t15-,16+,20-
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 36n/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))
BDBM50534354
PNG
(CHEMBL4547437)
Show SMILES COc1cc(Nc2ncc3OCCN(c4ccccc4)c3n2)ccc1-n1cnc(C)c1
Show InChI InChI=1S/C23H22N6O2/c1-16-14-28(15-25-16)19-9-8-17(12-20(19)30-2)26-23-24-13-21-22(27-23)29(10-11-31-21)18-6-4-3-5-7-18/h3-9,12-15H,10-11H2,1-2H3,(H,24,26,27)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 39n/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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50534356
PNG
(CHEMBL4554886)
Show SMILES Cc1cc(ccn1)[C@@H]1CC[C@H](CO1)Nc1ncc2OCCN(c3ccccc3Cl)c2n1
Show InChI InChI=1S/C23H24ClN5O2/c1-15-12-16(8-9-25-15)20-7-6-17(14-31-20)27-23-26-13-21-22(28-23)29(10-11-30-21)19-5-3-2-4-18(19)24/h2-5,8-9,12-13,17,20H,6-7,10-11,14H2,1H3,(H,26,27,28)/t17-,20+/m1/s1
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 41n/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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50534377
PNG
(CHEMBL4452791)
Show SMILES COc1cc2[nH]c(cc2cc1C#N)-c1cn2CCOC(c2n1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H17F3N4O2/c1-31-20-10-17-13(8-14(20)11-27)9-18(28-17)19-12-30-6-7-32-21(22(30)29-19)15-4-2-3-5-16(15)23(24,25)26/h2-5,8-10,12,21,28H,6-7H2,1H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 45n/an/an/an/a



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
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50534368
PNG
(CHEMBL4440365)
Show SMILES CCN1C(=O)C2CCCCCN2c2nc(Nc3ccc(c(OC)c3)-n3cnc(C)c3)ncc12
Show InChI InChI=1S/C24H29N7O2/c1-4-30-20-13-25-24(28-22(20)31-11-7-5-6-8-19(31)23(30)32)27-17-9-10-18(21(12-17)33-3)29-14-16(2)26-15-29/h9-10,12-15,19H,4-8,11H2,1-3H3,(H,25,27,28)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 46n/an/an/an/a



FORUM Pharmaceuticals

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human H4 cells expressing human APP695 assessed as reduction in amyloid beta 42 production after 22 hrs by electroch...


J Med Chem 59: 7389-409 (2016)


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


(Homo sapiens (Human))
BDBM50534364
PNG
(CHEMBL4519705)
Show SMILES COc1cc(Nc2ncc3OCC4(CC4)N(C)c3n2)ccc1-n1cnc(C)c1
Show InChI InChI=1S/C20H22N6O2/c1-13-10-26(12-22-13)15-5-4-14(8-16(15)27-3)23-19-21-9-17-18(24-19)25(2)20(6-7-20)11-28-17/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,21,23,24)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 49n/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
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2416 total )  |  Next  |  Last  >>
Jump to: