BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1465 hits from Elan Pharmaceuticals   
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))
BDBM50458169
PNG
(AVAGACESTAT | Avagacestat | BMS 708163 | BMS-70816...)
Show SMILES NC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(cc1F)-c1ncon1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481056
PNG
(CHEMBL572032)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)C#N
Show InChI InChI=1/C21H15F3N4O2S/c22-21(23,24)14-4-6-15(7-5-14)31(29,30)28-18-9-12(10-25)1-8-16(18)19-17(11-26-27-19)20(28)13-2-3-13/h1,4-9,11,13,20H,2-3H2,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481062
PNG
(CHEMBL583904)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12
Show InChI InChI=1/C19H16ClN3O2S/c20-13-7-9-14(10-8-13)26(24,25)23-17-4-2-1-3-15(17)18-16(11-21-22-18)19(23)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481086
PNG
(CHEMBL571602)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-c1cncnc1
Show InChI InChI=1/C24H18F3N5O2S/c25-24(26,27)17-4-6-18(7-5-17)35(33,34)32-21-9-15(16-10-28-13-29-11-16)3-8-19(21)22-20(12-30-31-22)23(32)14-1-2-14/h3-14,23H,1-2H2,(H,30,31)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481087
PNG
(CHEMBL571145)
Show SMILES FC(F)(F)C1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C17H11ClF3N3O2S/c18-10-5-7-11(8-6-10)27(25,26)24-14-4-2-1-3-12(14)15-13(9-22-23-15)16(24)17(19,20)21/h1-9,16H,(H,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492082
PNG
(CHEMBL2396959)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1[C@@H]2Cc3n[nH]cc3[C@H]1c1c2cccc1Cl
Show InChI InChI=1S/C19H13ClF3N3O2S/c20-14-6-2-5-12-16-8-15-13(9-24-25-15)18(17(12)14)26(16)29(27,28)11-4-1-3-10(7-11)19(21,22)23/h1-7,9,16,18H,8H2,(H,24,25)/t16-,18+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481063
PNG
(CHEMBL583662)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-n1ccnc1
Show InChI InChI=1/C23H18F3N5O2S/c24-23(25,26)15-3-6-17(7-4-15)34(32,33)31-20-11-16(30-10-9-27-13-30)5-8-18(20)21-19(12-28-29-21)22(31)14-1-2-14/h3-14,22H,1-2H2,(H,28,29)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.240n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481055
PNG
(CHEMBL571821)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(I)cc12
Show InChI InChI=1/C20H15F3IN3O2S/c21-20(22,23)12-3-6-14(7-4-12)30(28,29)27-17-9-13(24)5-8-15(17)18-16(10-25-26-18)19(27)11-1-2-11/h3-11,19H,1-2H2,(H,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.260n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481058
PNG
(CHEMBL570694)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)N1CCOC1=O
Show InChI InChI=1/C23H19F3N4O4S/c24-23(25,26)14-3-6-16(7-4-14)35(32,33)30-19-11-15(29-9-10-34-22(29)31)5-8-17(19)20-18(12-27-28-20)21(30)13-1-2-13/h3-8,11-13,21H,1-2,9-10H2,(H,27,28)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.260n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481089
PNG
(CHEMBL584330)
Show SMILES COC(=O)c1ccc2-c3n[nH]cc3C(C3CC3)N(c2c1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C22H18F3N3O4S/c1-32-21(29)13-4-9-16-18(10-13)28(20(12-2-3-12)17-11-26-27-19(16)17)33(30,31)15-7-5-14(6-8-15)22(23,24)25/h4-12,20H,2-3H2,1H3,(H,26,27)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.260n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481061
PNG
(CHEMBL570379)
Show SMILES CC(C)C1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C19H18ClN3O2S/c1-12(2)19-16-11-21-22-18(16)15-5-3-4-6-17(15)23(19)26(24,25)14-9-7-13(20)8-10-14/h3-12,19H,1-2H3,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492094
PNG
(CHEMBL2396964)
Show SMILES Fc1ccc(F)c2[C@H]3N([C@H](Cc4n[nH]cc34)c12)S(=O)(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H11F5N4O2S/c19-9-4-5-10(20)16-15(9)12-6-11-8(7-24-26-11)17(16)27(12)30(28,29)14-3-1-2-13(25-14)18(21,22)23/h1-5,7,12,17H,6H2,(H,24,26)/t12-,17+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481081
PNG
(CHEMBL584956)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12
Show InChI InChI=1/C20H16F3N3O2S/c21-20(22,23)13-7-9-14(10-8-13)29(27,28)26-17-4-2-1-3-15(17)18-16(11-24-25-18)19(26)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,24,25)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.310n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492093
PNG
(CHEMBL2396778)
Show SMILES Fc1cc2N([C@H](C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H14F5N3O2S/c21-15-7-13-17(8-16(15)22)28(19(10-1-2-10)14-9-26-27-18(13)14)31(29,30)12-5-3-11(4-6-12)20(23,24)25/h3-10,19H,1-2H2,(H,26,27)/t19-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50482032
PNG
(ENT A)
Show SMILES CC[C@H]1Cc2n[nH]cc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN3O2S/c1-3-12-9-15-14(10-18-19-15)16(4-2)20(12)23(21,22)13-7-5-11(17)6-8-13/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,18,19)/t12-,16+/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA


Bioorg Med Chem Lett 20: 2195-9 (2010)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481070
PNG
(CHEMBL571591)
Show SMILES CCC1N(c2ccccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C18H16ClN3O2S/c1-2-16-15-11-20-21-18(15)14-5-3-4-6-17(14)22(16)25(23,24)13-9-7-12(19)8-10-13/h3-11,16H,2H2,1H3,(H,20,21)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.360n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481068
PNG
(CHEMBL584113)
Show SMILES Fc1ccc2N(C(C3CC3)c3c[nH]nc3-c2c1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C20H15F4N3O3S/c21-12-3-8-17-15(9-12)18-16(10-25-26-18)19(11-1-2-11)27(17)31(28,29)14-6-4-13(5-7-14)30-20(22,23)24/h3-11,19H,1-2H2,(H,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.370n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492086
PNG
(CHEMBL2396952)
Show SMILES Fc1cccc2[C@H]3Cc4n[nH]cc4[C@H](N3S(=O)(=O)c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C19H13F4N3O2S/c20-14-3-1-2-12-16-8-15-13(9-24-25-15)18(17(12)14)26(16)29(27,28)11-6-4-10(5-7-11)19(21,22)23/h1-7,9,16,18H,8H2,(H,24,25)/t16-,18+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492085
PNG
(CHEMBL2396953)
Show SMILES Fc1cccc2[C@H]3Cc4n[nH]cc4[C@H](N3S(=O)(=O)c3ccc(nc3)C(F)(F)F)c12
Show InChI InChI=1S/C18H12F4N4O2S/c19-12-3-1-2-10-14-6-13-11(8-24-25-13)17(16(10)12)26(14)29(27,28)9-4-5-15(23-7-9)18(20,21)22/h1-5,7-8,14,17H,6H2,(H,24,25)/t14-,17+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481064
PNG
(CHEMBL585713)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)-c1cscn1
Show InChI InChI=1/C23H17F3N4O2S2/c24-23(25,26)15-4-6-16(7-5-15)34(31,32)30-20-9-14(19-11-33-12-27-19)3-8-17(20)21-18(10-28-29-21)22(30)13-1-2-13/h3-13,22H,1-2H2,(H,28,29)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481043
PNG
(CHEMBL583660)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccccc12
Show InChI InChI=1/C19H16FN3O2S/c20-13-7-9-14(10-8-13)26(24,25)23-17-4-2-1-3-15(17)18-16(11-21-22-18)19(23)12-5-6-12/h1-4,7-12,19H,5-6H2,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.420n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481069
PNG
(CHEMBL571175)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(Cl)cc12
Show InChI InChI=1/C20H15ClF3N3O2S/c21-13-5-8-15-17(9-13)27(19(11-1-2-11)16-10-25-26-18(15)16)30(28,29)14-6-3-12(4-7-14)20(22,23)24/h3-11,19H,1-2H2,(H,25,26)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.440n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481075
PNG
(CHEMBL571817)
Show SMILES Fc1cc2N(C(C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ncc(Cl)s1
Show InChI InChI=1/C16H11ClF2N4O2S2/c17-13-6-20-16(26-13)27(24,25)23-12-4-11(19)10(18)3-8(12)14-9(5-21-22-14)15(23)7-1-2-7/h3-7,15H,1-2H2,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.460n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50482032
PNG
(ENT A)
Show SMILES CC[C@H]1Cc2n[nH]cc2[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN3O2S/c1-3-12-9-15-14(10-18-19-15)16(4-2)20(12)23(21,22)13-7-5-11(17)6-8-13/h5-8,10,12,16H,3-4,9H2,1-2H3,(H,18,19)/t12-,16+/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.480n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA


Bioorg Med Chem Lett 20: 2195-9 (2010)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481048
PNG
(CHEMBL584115)
Show SMILES Fc1cc2N(C(C3CC3)c3c[nH]nc3-c2cc1F)S(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1/C17H12ClF2N3O2S2/c18-14-3-4-15(26-14)27(24,25)23-13-6-12(20)11(19)5-9(13)16-10(7-21-22-16)17(23)8-1-2-8/h3-8,17H,1-2H2,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.520n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481154
PNG
(CHEMBL570980)
Show SMILES CC#CC1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C18H18ClN3O2S/c1-2-3-12-8-14-10-17-16(11-20-21-17)18(9-12)22(14)25(23,24)15-6-4-13(19)5-7-15/h4-7,11-12,14,18H,8-10H2,1H3,(H,20,21)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.520n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA


Bioorg Med Chem Lett 19: 6952-6 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492083
PNG
(CHEMBL2396960)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N1[C@@H]2Cc3n[nH]cc3[C@H]1c1cc(Cl)ccc21
Show InChI InChI=1S/C19H13ClF3N3O2S/c20-11-4-5-13-14(7-11)18-15-9-24-25-16(15)8-17(13)26(18)29(27,28)12-3-1-2-10(6-12)19(21,22)23/h1-7,9,17-18H,8H2,(H,24,25)/t17-,18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.570n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481088
PNG
(CHEMBL568891)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2ccc(cc12)N1CCOCC1
Show InChI InChI=1/C24H23F3N4O3S/c25-24(26,27)16-3-6-18(7-4-16)35(32,33)31-21-13-17(30-9-11-34-12-10-30)5-8-19(21)22-20(14-28-29-22)23(31)15-1-2-15/h3-8,13-15,23H,1-2,9-12H2,(H,28,29)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.580n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481065
PNG
(CHEMBL571818)
Show SMILES C[C@H]1N(c2ccc(F)cc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C17H13ClFN3O2S/c1-10-15-9-20-21-17(15)14-8-12(19)4-7-16(14)22(10)25(23,24)13-5-2-11(18)3-6-13/h2-10H,1H3,(H,20,21)/t10-/s2
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.620n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481054
PNG
(CHEMBL583674)
Show SMILES CC1N(c2cc(O)ccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C17H14ClN3O3S/c1-10-15-9-19-20-17(15)14-7-4-12(22)8-16(14)21(10)25(23,24)13-5-2-11(18)3-6-13/h2-10,22H,1H3,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.650n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481079
PNG
(CHEMBL585538)
Show SMILES Fc1ccc2N([C@H](C3CC3)c3c[nH]nc3-c2c1)S(=O)(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1/C19H14F4N4O2S/c20-12-4-5-15-13(7-12)17-14(9-25-26-17)18(10-1-2-10)27(15)30(28,29)16-6-3-11(8-24-16)19(21,22)23/h3-10,18H,1-2H2,(H,25,26)/t18-/s2
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.670n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481067
PNG
(CHEMBL571387)
Show SMILES O=S(=O)(N1C(C2CC2)c2c[nH]nc2-c2ccccc12)c1ccc(cc1)C#N
Show InChI InChI=1/C20H16N4O2S/c21-11-13-5-9-15(10-6-13)27(25,26)24-18-4-2-1-3-16(18)19-17(12-22-23-19)20(24)14-7-8-14/h1-6,9-10,12,14,20H,7-8H2,(H,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.740n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481148
PNG
(CHEMBL570752)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)C#C
Show InChI InChI=1/C17H16ClN3O2S/c1-2-11-7-13-9-16-15(10-19-20-16)17(8-11)21(13)24(22,23)14-5-3-12(18)4-6-14/h1,3-6,10-11,13,17H,7-9H2,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.75n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA


Bioorg Med Chem Lett 19: 6952-6 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481045
PNG
(CHEMBL569570)
Show SMILES FC(F)Oc1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2cc(F)ccc12
Show InChI InChI=1/C20H16F3N3O3S/c21-12-3-8-17-15(9-12)18-16(10-24-25-18)19(11-1-2-11)26(17)30(27,28)14-6-4-13(5-7-14)29-20(22)23/h3-11,19-20H,1-2H2,(H,24,25)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.760n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50482033
PNG
(CHEMBL1093761)
Show SMILES CC(C)[C@H]1Cc2n[nH]cc2[C@@H](C(C)C)N1S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H24F3N3O2S/c1-11(2)17-9-16-15(10-23-24-16)18(12(3)4)25(17)28(26,27)14-7-5-13(6-8-14)19(20,21)22/h5-8,10-12,17-18H,9H2,1-4H3,(H,23,24)/t17-,18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.770n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA


Bioorg Med Chem Lett 20: 2195-9 (2010)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481057
PNG
(CHEMBL571822)
Show SMILES CC1N(c2cc(OC(=O)N(C)C)ccc2-c2n[nH]cc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C20H19ClN4O4S/c1-12-17-11-22-23-19(17)16-9-6-14(29-20(26)24(2)3)10-18(16)25(12)30(27,28)15-7-4-13(21)5-8-15/h4-12H,1-3H3,(H,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 0.930n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50438363
PNG
(CHEMBL2408751)
Show SMILES CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1
Show InChI InChI=1/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...


Bioorg Med Chem Lett 23: 4674-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.006
BindingDB Entry DOI: 10.7270/Q29W0GWT
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481147
PNG
(CHEMBL585542)
Show SMILES Cl\C=C\C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C17H17Cl2N3O2S/c18-6-5-11-7-13-9-16-15(10-20-21-16)17(8-11)22(13)25(23,24)14-3-1-12(19)2-4-14/h1-6,10-11,13,17H,7-9H2,(H,20,21)/b6-5+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA


Bioorg Med Chem Lett 19: 6952-6 (2009)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50352624
PNG
(CHEMBL1822305 | US9796706, Compound 139)
Show SMILES Cn1cnc(n1)-c1c(Br)csc1NC(=O)CN1C(=O)CCc2ncccc12
Show InChI InChI=1S/C17H15BrN6O2S/c1-23-9-20-16(22-23)15-10(18)8-27-17(15)21-13(25)7-24-12-3-2-6-19-11(12)4-5-14(24)26/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428701
PNG
(CHEMBL2333115 | US9884828, 2-127)
Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O
Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50352621
PNG
(CHEMBL1822152)
Show SMILES Brc1csc(NC(=O)Cn2c3cc(ccc3ccc2=O)C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-5-10(6-20)1-2-11(13)3-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428716
PNG
(CHEMBL2333128 | US9884828, 2-41)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1
Show InChI InChI=1/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50428717
PNG
(CHEMBL2333127 | US9884828, 2-37)
Show SMILES CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1/C20H22N4O3S/c1-4-12(2)22-18-16-10-7-14(11-17(16)23-24-19(18)20(21)25)13-5-8-15(9-6-13)28(3,26)27/h5-12H,4H2,1-3H3,(H2,21,25)(H,22,23)/t12-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.021
BindingDB Entry DOI: 10.7270/Q2930VHH
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50352620
PNG
(CHEMBL1822151)
Show SMILES Brc1csc(NC(=O)Cn2c3ccc(cc3ccc2=O)C#N)c1-c1nnc[nH]1
Show InChI InChI=1S/C18H11BrN6O2S/c19-12-8-28-18(16(12)17-21-9-22-24-17)23-14(26)7-25-13-3-1-10(6-20)5-11(13)2-4-15(25)27/h1-5,8-9H,7H2,(H,23,26)(H,21,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492098
PNG
(CHEMBL2396963)
Show SMILES Fc1cccc2[C@H]3N([C@H](Cc4n[nH]cc34)c12)S(=O)(=O)c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H12F4N4O2S/c19-11-4-1-3-9-16(11)13-7-12-10(8-23-25-12)17(9)26(13)29(27,28)15-6-2-5-14(24-15)18(20,21)22/h1-6,8,13,17H,7H2,(H,23,25)/t13-,17-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50482050
PNG
(CHEMBL1090408)
Show SMILES CC[C@H]1Cc2n[nH]cc2CN1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H16ClN3O2S/c1-2-12-7-14-10(8-16-17-14)9-18(12)21(19,20)13-5-3-11(15)4-6-13/h3-6,8,12H,2,7,9H2,1H3,(H,16,17)/t12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase-mediated APP cleavage in human IMR-32 cells assessed as amyloid beta40 level after 2 hrs by ELISA


Bioorg Med Chem Lett 20: 2195-9 (2010)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481164
PNG
(CHEMBL585911)
Show SMILES FC(F)(F)\C=C\C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1/C18H17ClF3N3O2S/c19-12-1-3-14(4-2-12)28(26,27)25-13-7-11(5-6-18(20,21)22)8-17(25)15-10-23-24-16(15)9-13/h1-6,10-11,13,17H,7-9H2,(H,23,24)/b6-5+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase in human IMR32 cells assessed as inhibition of Abeta40 site cleavage by ELISA


Bioorg Med Chem Lett 19: 6952-6 (2009)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16770
PNG
((1R,3S,5S)-5-[(3S,4S)-N-[(1S)-1-carbamoyl-2-methyl...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1/C38H50F2N4O9/c1-5-10-44(11-6-2)36(49)24-9-7-8-23(15-24)34(47)42-30(14-22-12-27(39)19-28(40)13-22)31(45)20-32(46)43-33(21(3)4)35(48)41-29-17-25(37(50)51)16-26(18-29)38(52)53/h7-9,12-13,15,19,21,25-26,29-31,33,45H,5-6,10-11,14,16-18,20H2,1-4H3,(H,41,48)(H,42,47)(H,43,46)(H,50,51)(H,52,53)/t25-,26+,29-,30-,31-,33-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/a4.837



Elan Pharmaceuticals



Assay Description
Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...


J Med Chem 47: 158-64 (2004)


Article DOI: 10.1021/jm0304008
BindingDB Entry DOI: 10.7270/Q2G73BZ6
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50481084
PNG
(CHEMBL570471)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C(C2CC2)c2c[nH]nc2-c2cccnc12
Show InChI InChI=1/C19H15F3N4O2S/c20-19(21,22)12-5-7-13(8-6-12)29(27,28)26-17(11-3-4-11)15-10-24-25-16(15)14-2-1-9-23-18(14)26/h1-2,5-11,17H,3-4H2,(H,24,25)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Gamma-secretase in human IMR-32 cells after 2 hrs by ELISA assay


Bioorg Med Chem Lett 19: 4920-3 (2009)

More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50492097
PNG
(CHEMBL2396965)
Show SMILES Fc1cc2[C@H]3Cc4n[nH]cc4[C@H](N3S(=O)(=O)c3cccc(c3)C(F)(F)F)c2cc1F
Show InChI InChI=1S/C19H12F5N3O2S/c20-14-5-11-12(6-15(14)21)18-13-8-25-26-16(13)7-17(11)27(18)30(28,29)10-3-1-2-9(4-10)19(22,23)24/h1-6,8,17-18H,7H2,(H,25,26)/t17-,18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA


Bioorg Med Chem Lett 23: 996-1000 (2013)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1465 total )  |  Next  |  Last  >>
Jump to: