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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50005282   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Presenilin-1


(Homo sapiens (Human))
BDBM50490579
PNG
(CHEMBL2337154)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C72H111N13O14/c1-37(87)74-51-25-3-14-40(51)64(91)78-53-27-5-16-42(53)63(90)75-38(36-86)35-61(88)76-52-26-4-15-41(52)65(92)79-55-29-7-18-44(55)67(94)81-57-31-9-20-46(57)69(96)83-59-33-11-22-48(59)71(98)85-60-34-12-23-49(60)72(99)84-58-32-10-21-47(58)70(97)82-56-30-8-19-45(56)68(95)80-54-28-6-17-43(54)66(93)77-50-24-2-13-39(50)62(73)89/h38-60,86H,2-36H2,1H3,(H2,73,89)(H,74,87)(H,75,90)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,80,95)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.402n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490580
PNG
(CHEMBL2337153)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C73H112N14O14/c1-37(88)76-51-25-3-14-40(51)65(93)80-53-27-5-16-42(53)64(92)77-38(35-61(74)89)36-62(90)78-52-26-4-15-41(52)66(94)81-55-29-7-18-44(55)68(96)83-57-31-9-20-46(57)70(98)85-59-33-11-22-48(59)72(100)87-60-34-12-23-49(60)73(101)86-58-32-10-21-47(58)71(99)84-56-30-8-19-45(56)69(97)82-54-28-6-17-43(54)67(95)79-50-24-2-13-39(50)63(75)91/h38-60H,2-36H2,1H3,(H2,74,89)(H2,75,91)(H,76,88)(H,77,92)(H,78,90)(H,79,95)(H,80,93)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)(H,86,101)(H,87,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.555n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490579
PNG
(CHEMBL2337154)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C72H111N13O14/c1-37(87)74-51-25-3-14-40(51)64(91)78-53-27-5-16-42(53)63(90)75-38(36-86)35-61(88)76-52-26-4-15-41(52)65(92)79-55-29-7-18-44(55)67(94)81-57-31-9-20-46(57)69(96)83-59-33-11-22-48(59)71(98)85-60-34-12-23-49(60)72(99)84-58-32-10-21-47(58)70(97)82-56-30-8-19-45(56)68(95)80-54-28-6-17-43(54)66(93)77-50-24-2-13-39(50)62(73)89/h38-60,86H,2-36H2,1H3,(H2,73,89)(H,74,87)(H,75,90)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,80,95)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.830n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490580
PNG
(CHEMBL2337153)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C73H112N14O14/c1-37(88)76-51-25-3-14-40(51)65(93)80-53-27-5-16-42(53)64(92)77-38(35-61(74)89)36-62(90)78-52-26-4-15-41(52)66(94)81-55-29-7-18-44(55)68(96)83-57-31-9-20-46(57)70(98)85-59-33-11-22-48(59)72(100)87-60-34-12-23-49(60)73(101)86-58-32-10-21-47(58)71(99)84-56-30-8-19-45(56)69(97)82-54-28-6-17-43(54)67(95)79-50-24-2-13-39(50)63(75)91/h38-60H,2-36H2,1H3,(H2,74,89)(H2,75,91)(H,76,88)(H,77,92)(H,78,90)(H,79,95)(H,80,93)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)(H,86,101)(H,87,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.880n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490588
PNG
(CHEMBL2336728)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C71H109N13O13/c1-37(85)74-50-25-4-15-40(50)63(89)77-52-27-3-14-39(52)62(88)73-36-35-60(86)75-51-26-5-16-41(51)64(90)78-54-29-7-18-43(54)66(92)80-56-31-9-20-45(56)68(94)82-58-33-11-22-47(58)70(96)84-59-34-12-23-48(59)71(97)83-57-32-10-21-46(57)69(95)81-55-30-8-19-44(55)67(93)79-53-28-6-17-42(53)65(91)76-49-24-2-13-38(49)61(72)87/h38-59H,2-36H2,1H3,(H2,72,87)(H,73,88)(H,74,85)(H,75,86)(H,76,91)(H,77,89)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490580
PNG
(CHEMBL2337153)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C73H112N14O14/c1-37(88)76-51-25-3-14-40(51)65(93)80-53-27-5-16-42(53)64(92)77-38(35-61(74)89)36-62(90)78-52-26-4-15-41(52)66(94)81-55-29-7-18-44(55)68(96)83-57-31-9-20-46(57)70(98)85-59-33-11-22-48(59)72(100)87-60-34-12-23-49(60)73(101)86-58-32-10-21-47(58)71(99)84-56-30-8-19-45(56)69(97)82-54-28-6-17-43(54)67(95)79-50-24-2-13-39(50)63(75)91/h38-60H,2-36H2,1H3,(H2,74,89)(H2,75,91)(H,76,88)(H,77,92)(H,78,90)(H,79,95)(H,80,93)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)(H,86,101)(H,87,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of notch intracel...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490588
PNG
(CHEMBL2336728)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)NCCC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C71H109N13O13/c1-37(85)74-50-25-4-15-40(50)63(89)77-52-27-3-14-39(52)62(88)73-36-35-60(86)75-51-26-5-16-41(51)64(90)78-54-29-7-18-43(54)66(92)80-56-31-9-20-45(56)68(94)82-58-33-11-22-47(58)70(96)84-59-34-12-23-48(59)71(97)83-57-32-10-21-46(57)69(95)81-55-30-8-19-44(55)67(93)79-53-28-6-17-42(53)65(91)76-49-24-2-13-38(49)61(72)87/h38-59H,2-36H2,1H3,(H2,72,87)(H,73,88)(H,74,85)(H,75,86)(H,76,91)(H,77,89)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490578
PNG
(CHEMBL2337566)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C74H113N13O13/c1-38(88)76-52-27-3-15-40(52)64(90)78-54-29-5-17-42(54)66(92)80-56-31-7-19-44(56)68(94)82-58-33-9-21-46(58)70(96)84-60-35-11-23-48(60)72(98)86-62-37-13-25-50(62)74(100)87-61-36-12-24-49(61)73(99)85-59-34-10-22-47(59)71(97)83-57-32-8-20-45(57)69(95)81-55-30-6-18-43(55)67(93)79-53-28-4-16-41(53)65(91)77-51-26-2-14-39(51)63(75)89/h39-62H,2-37H2,1H3,(H2,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)(H,85,99)(H,86,98)(H,87,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490578
PNG
(CHEMBL2337566)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C74H113N13O13/c1-38(88)76-52-27-3-15-40(52)64(90)78-54-29-5-17-42(54)66(92)80-56-31-7-19-44(56)68(94)82-58-33-9-21-46(58)70(96)84-60-35-11-23-48(60)72(98)86-62-37-13-25-50(62)74(100)87-61-36-12-24-49(61)73(99)85-59-34-10-22-47(59)71(97)83-57-32-8-20-45(57)69(95)81-55-30-6-18-43(55)67(93)79-53-28-4-16-41(53)65(91)77-51-26-2-14-39(51)63(75)89/h39-62H,2-37H2,1H3,(H2,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)(H,85,99)(H,86,98)(H,87,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490578
PNG
(CHEMBL2337566)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C74H113N13O13/c1-38(88)76-52-27-3-15-40(52)64(90)78-54-29-5-17-42(54)66(92)80-56-31-7-19-44(56)68(94)82-58-33-9-21-46(58)70(96)84-60-35-11-23-48(60)72(98)86-62-37-13-25-50(62)74(100)87-61-36-12-24-49(61)73(99)85-59-34-10-22-47(59)71(97)83-57-32-8-20-45(57)69(95)81-55-30-6-18-43(55)67(93)79-53-28-4-16-41(53)65(91)77-51-26-2-14-39(51)63(75)89/h39-62H,2-37H2,1H3,(H2,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)(H,85,99)(H,86,98)(H,87,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 20n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of notch intracel...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490579
PNG
(CHEMBL2337154)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C72H111N13O14/c1-37(87)74-51-25-3-14-40(51)64(91)78-53-27-5-16-42(53)63(90)75-38(36-86)35-61(88)76-52-26-4-15-41(52)65(92)79-55-29-7-18-44(55)67(94)81-57-31-9-20-46(57)69(96)83-59-33-11-22-48(59)71(98)85-60-34-12-23-49(60)72(99)84-58-32-10-21-47(58)70(97)82-56-30-8-19-45(56)68(95)80-54-28-6-17-43(54)66(93)77-50-24-2-13-39(50)62(73)89/h38-60,86H,2-36H2,1H3,(H2,73,89)(H,74,87)(H,75,90)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,80,95)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 41n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of notch intracel...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490580
PNG
(CHEMBL2337153)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C73H112N14O14/c1-37(88)76-51-25-3-14-40(51)65(93)80-53-27-5-16-42(53)64(92)77-38(35-61(74)89)36-62(90)78-52-26-4-15-41(52)66(94)81-55-29-7-18-44(55)68(96)83-57-31-9-20-46(57)70(98)85-59-33-11-22-48(59)72(100)87-60-34-12-23-49(60)73(101)86-58-32-10-21-47(58)71(99)84-56-30-8-19-45(56)69(97)82-54-28-6-17-43(54)67(95)79-50-24-2-13-39(50)63(75)91/h38-60H,2-36H2,1H3,(H2,74,89)(H2,75,91)(H,76,88)(H,77,92)(H,78,90)(H,79,95)(H,80,93)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)(H,86,101)(H,87,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
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UniProtKB/SwissProt

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n/an/a 68n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of Abeta42 secret...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490579
PNG
(CHEMBL2337154)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C72H111N13O14/c1-37(87)74-51-25-3-14-40(51)64(91)78-53-27-5-16-42(53)63(90)75-38(36-86)35-61(88)76-52-26-4-15-41(52)65(92)79-55-29-7-18-44(55)67(94)81-57-31-9-20-46(57)69(96)83-59-33-11-22-48(59)71(98)85-60-34-12-23-49(60)72(99)84-58-32-10-21-47(58)70(97)82-56-30-8-19-45(56)68(95)80-54-28-6-17-43(54)66(93)77-50-24-2-13-39(50)62(73)89/h38-60,86H,2-36H2,1H3,(H2,73,89)(H,74,87)(H,75,90)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,80,95)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
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UniProtKB/SwissProt

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n/an/a 84n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of IAbeta40 secre...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490580
PNG
(CHEMBL2337153)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C73H112N14O14/c1-37(88)76-51-25-3-14-40(51)65(93)80-53-27-5-16-42(53)64(92)77-38(35-61(74)89)36-62(90)78-52-26-4-15-41(52)66(94)81-55-29-7-18-44(55)68(96)83-57-31-9-20-46(57)70(98)85-59-33-11-22-48(59)72(100)87-60-34-12-23-49(60)73(101)86-58-32-10-21-47(58)71(99)84-56-30-8-19-45(56)69(97)82-54-28-6-17-43(54)67(95)79-50-24-2-13-39(50)63(75)91/h38-60H,2-36H2,1H3,(H2,74,89)(H2,75,91)(H,76,88)(H,77,92)(H,78,90)(H,79,95)(H,80,93)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)(H,86,101)(H,87,100)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
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UniProtKB/SwissProt

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n/an/a 85n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of IAbeta40 secre...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490579
PNG
(CHEMBL2337154)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](CO)CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C72H111N13O14/c1-37(87)74-51-25-3-14-40(51)64(91)78-53-27-5-16-42(53)63(90)75-38(36-86)35-61(88)76-52-26-4-15-41(52)65(92)79-55-29-7-18-44(55)67(94)81-57-31-9-20-46(57)69(96)83-59-33-11-22-48(59)71(98)85-60-34-12-23-49(60)72(99)84-58-32-10-21-47(58)70(97)82-56-30-8-19-45(56)68(95)80-54-28-6-17-43(54)66(93)77-50-24-2-13-39(50)62(73)89/h38-60,86H,2-36H2,1H3,(H2,73,89)(H,74,87)(H,75,90)(H,76,88)(H,77,93)(H,78,91)(H,79,92)(H,80,95)(H,81,94)(H,82,97)(H,83,96)(H,84,99)(H,85,98)/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of Abeta42 secret...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
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/a 203n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490586
PNG
(CHEMBL2337559)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C68H104N12O12/c1-35(81)70-48-25-3-14-37(48)59(83)72-50-27-5-16-39(50)61(85)74-52-29-7-18-41(52)63(87)76-54-31-9-20-43(54)65(89)78-56-33-11-22-45(56)67(91)80-57-34-12-23-46(57)68(92)79-55-32-10-21-44(55)66(90)77-53-30-8-19-42(53)64(88)75-51-28-6-17-40(51)62(86)73-49-26-4-15-38(49)60(84)71-47-24-2-13-36(47)58(69)82/h36-57H,2-34H2,1H3,(H2,69,82)(H,70,81)(H,71,84)(H,72,83)(H,73,86)(H,74,85)(H,75,88)(H,76,87)(H,77,90)(H,78,89)(H,79,92)(H,80,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
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n/an/a 225n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490586
PNG
(CHEMBL2337559)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C68H104N12O12/c1-35(81)70-48-25-3-14-37(48)59(83)72-50-27-5-16-39(50)61(85)74-52-29-7-18-41(52)63(87)76-54-31-9-20-43(54)65(89)78-56-33-11-22-45(56)67(91)80-57-34-12-23-46(57)68(92)79-55-32-10-21-44(55)66(90)77-53-30-8-19-42(53)64(88)75-51-28-6-17-40(51)62(86)73-49-26-4-15-38(49)60(84)71-47-24-2-13-36(47)58(69)82/h36-57H,2-34H2,1H3,(H2,69,82)(H,70,81)(H,71,84)(H,72,83)(H,73,86)(H,74,85)(H,75,88)(H,76,87)(H,77,90)(H,78,89)(H,79,92)(H,80,91)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
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n/an/a 244n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
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/a 414n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490578
PNG
(CHEMBL2337566)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C74H113N13O13/c1-38(88)76-52-27-3-15-40(52)64(90)78-54-29-5-17-42(54)66(92)80-56-31-7-19-44(56)68(94)82-58-33-9-21-46(58)70(96)84-60-35-11-23-48(60)72(98)86-62-37-13-25-50(62)74(100)87-61-36-12-24-49(61)73(99)85-59-34-10-22-47(59)71(97)83-57-32-8-20-45(57)69(95)81-55-30-6-18-43(55)67(93)79-53-28-4-16-41(53)65(91)77-51-26-2-14-39(51)63(75)89/h39-62H,2-37H2,1H3,(H2,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)(H,85,99)(H,86,98)(H,87,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
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n/an/a 626n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of Abeta42 secret...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490578
PNG
(CHEMBL2337566)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C74H113N13O13/c1-38(88)76-52-27-3-15-40(52)64(90)78-54-29-5-17-42(54)66(92)80-56-31-7-19-44(56)68(94)82-58-33-9-21-46(58)70(96)84-60-35-11-23-48(60)72(98)86-62-37-13-25-50(62)74(100)87-61-36-12-24-49(61)73(99)85-59-34-10-22-47(59)71(97)83-57-32-8-20-45(57)69(95)81-55-30-6-18-43(55)67(93)79-53-28-4-16-41(53)65(91)77-51-26-2-14-39(51)63(75)89/h39-62H,2-37H2,1H3,(H2,75,89)(H,76,88)(H,77,91)(H,78,90)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,97)(H,84,96)(H,85,99)(H,86,98)(H,87,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in human HEK293 cells expressing APPNL/NotchDeltaE/EGFP/UAS-firefly luciferase assessed as inhibition of IAbeta40 secre...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490581
PNG
(CHEMBL2337560)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C62H95N11O11/c1-32(74)64-44-23-3-13-34(44)54(76)66-46-25-5-15-36(46)56(78)68-48-27-7-17-38(48)58(80)70-50-29-9-19-40(50)60(82)72-52-31-11-21-42(52)62(84)73-51-30-10-20-41(51)61(83)71-49-28-8-18-39(49)59(81)69-47-26-6-16-37(47)57(79)67-45-24-4-14-35(45)55(77)65-43-22-2-12-33(43)53(63)75/h33-52H,2-31H2,1H3,(H2,63,75)(H,64,74)(H,65,77)(H,66,76)(H,67,79)(H,68,78)(H,69,81)(H,70,80)(H,71,83)(H,72,82)(H,73,84)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/a 2.28E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490581
PNG
(CHEMBL2337560)
Show SMILES CC(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C62H95N11O11/c1-32(74)64-44-23-3-13-34(44)54(76)66-46-25-5-15-36(46)56(78)68-48-27-7-17-38(48)58(80)70-50-29-9-19-40(50)60(82)72-52-31-11-21-42(52)62(84)73-51-30-10-20-41(51)61(83)71-49-28-8-18-39(49)59(81)69-47-26-6-16-37(47)57(79)67-45-24-4-14-35(45)55(77)65-43-22-2-12-33(43)53(63)75/h33-52H,2-31H2,1H3,(H2,63,75)(H,64,74)(H,65,77)(H,66,76)(H,67,79)(H,68,78)(H,69,81)(H,70,80)(H,71,83)(H,72,82)(H,73,84)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/a 5.21E+3n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490582
PNG
(CHEMBL2337561)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C57H82N12O12/c1-35(70)59-24-3-14-37(59)48(72)61-26-5-16-39(61)50(74)63-28-7-18-41(63)52(76)65-30-9-20-43(65)54(78)67-32-11-22-45(67)56(80)69-34-12-23-46(69)57(81)68-33-10-21-44(68)55(79)66-31-8-19-42(66)53(77)64-29-6-17-40(64)51(75)62-27-4-15-38(62)49(73)60-25-2-13-36(60)47(58)71/h36-46H,2-34H2,1H3,(H2,58,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490583
PNG
(CHEMBL2337562)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C47H68N10O10/c1-29(58)49-20-3-12-31(49)40(60)51-22-5-14-33(51)42(62)53-24-7-16-35(53)44(64)55-26-9-18-37(55)46(66)57-28-10-19-38(57)47(67)56-27-8-17-36(56)45(65)54-25-6-15-34(54)43(63)52-23-4-13-32(52)41(61)50-21-2-11-30(50)39(48)59/h30-38H,2-28H2,1H3,(H2,48,59)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490584
PNG
(CHEMBL2337565)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C47H68N10O10/c1-29(58)49-20-3-12-31(49)40(60)51-22-5-14-33(51)42(62)53-24-7-16-35(53)44(64)55-26-9-18-37(55)46(66)57-28-10-19-38(57)47(67)56-27-8-17-36(56)45(65)54-25-6-15-34(54)43(63)52-23-4-13-32(52)41(61)50-21-2-11-30(50)39(48)59/h30-38H,2-28H2,1H3,(H2,48,59)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490589
PNG
(CHEMBL2337563)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H47N7O7/c1-20(40)34-14-3-9-22(34)28(42)36-16-5-11-24(36)30(44)38-18-7-13-26(38)32(46)39-19-6-12-25(39)31(45)37-17-4-10-23(37)29(43)35-15-2-8-21(35)27(33)41/h21-26H,2-19H2,1H3,(H2,33,41)/t21-,22-,23-,24-,25-,26-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490589
PNG
(CHEMBL2337563)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C32H47N7O7/c1-20(40)34-14-3-9-22(34)28(42)36-16-5-11-24(36)30(44)38-18-7-13-26(38)32(46)39-19-6-12-25(39)31(45)37-17-4-10-23(37)29(43)35-15-2-8-21(35)27(33)41/h21-26H,2-19H2,1H3,(H2,33,41)/t21-,22-,23-,24-,25-,26-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490582
PNG
(CHEMBL2337561)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C57H82N12O12/c1-35(70)59-24-3-14-37(59)48(72)61-26-5-16-39(61)50(74)63-28-7-18-41(63)52(76)65-30-9-20-43(65)54(78)67-32-11-22-45(67)56(80)69-34-12-23-46(69)57(81)68-33-10-21-44(68)55(79)66-31-8-19-42(66)53(77)64-29-6-17-40(64)51(75)62-27-4-15-38(62)49(73)60-25-2-13-36(60)47(58)71/h36-46H,2-34H2,1H3,(H2,58,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490587
PNG
(CHEMBL2337564)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C57H82N12O12/c1-35(70)59-24-3-14-37(59)48(72)61-26-5-16-39(61)50(74)63-28-7-18-41(63)52(76)65-30-9-20-43(65)54(78)67-32-11-22-45(67)56(80)69-34-12-23-46(69)57(81)68-33-10-21-44(68)55(79)66-31-8-19-42(66)53(77)64-29-6-17-40(64)51(75)62-27-4-15-38(62)49(73)60-25-2-13-36(60)47(58)71/h36-46H,2-34H2,1H3,(H2,58,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490583
PNG
(CHEMBL2337562)
Show SMILES CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C47H68N10O10/c1-29(58)49-20-3-12-31(49)40(60)51-22-5-14-33(51)42(62)53-24-7-16-35(53)44(64)55-26-9-18-37(55)46(66)57-28-10-19-38(57)47(67)56-27-8-17-36(56)45(65)54-25-6-15-34(54)43(63)52-23-4-13-32(52)41(61)50-21-2-11-30(50)39(48)59/h30-38H,2-28H2,1H3,(H2,48,59)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490585
PNG
(CHEMBL602560)
Show SMILES [H][C@]1(CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C32H47N7O7/c1-20(40)34-14-3-9-22(34)28(42)36-16-5-11-24(36)30(44)38-18-7-13-26(38)32(46)39-19-6-12-25(39)31(45)37-17-4-10-23(37)29(43)35-15-2-8-21(35)27(33)41/h21-26H,2-19H2,1H3,(H2,33,41)/t21-,22-,23-,24-,25-,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490587
PNG
(CHEMBL2337564)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C57H82N12O12/c1-35(70)59-24-3-14-37(59)48(72)61-26-5-16-39(61)50(74)63-28-7-18-41(63)52(76)65-30-9-20-43(65)54(78)67-32-11-22-45(67)56(80)69-34-12-23-46(69)57(81)68-33-10-21-44(68)55(79)66-31-8-19-42(66)53(77)64-29-6-17-40(64)51(75)62-27-4-15-38(62)49(73)60-25-2-13-36(60)47(58)71/h36-46H,2-34H2,1H3,(H2,58,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta40 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490585
PNG
(CHEMBL602560)
Show SMILES [H][C@]1(CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C32H47N7O7/c1-20(40)34-14-3-9-22(34)28(42)36-16-5-11-24(36)30(44)38-18-7-13-26(38)32(46)39-19-6-12-25(39)31(45)37-17-4-10-23(37)29(43)35-15-2-8-21(35)27(33)41/h21-26H,2-19H2,1H3,(H2,33,41)/t21-,22-,23-,24-,25-,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50490584
PNG
(CHEMBL2337565)
Show SMILES CC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C47H68N10O10/c1-29(58)49-20-3-12-31(49)40(60)51-22-5-14-33(51)42(62)53-24-7-16-35(53)44(64)55-26-9-18-37(55)46(66)57-28-10-19-38(57)47(67)56-27-8-17-36(56)45(65)54-25-6-15-34(54)43(63)52-23-4-13-32(52)41(61)50-21-2-11-30(50)39(48)59/h30-38H,2-28H2,1H3,(H2,48,59)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase (unknown origin) expressed in N2a NL/N cells coexpressing betaAPPNL and NotchdeltaE assessed as Abeta42 secretion by EL...


J Med Chem 56: 1443-54 (2013)


Article DOI: 10.1021/jm301306c
BindingDB Entry DOI: 10.7270/Q2251N3J
More data for this
Ligand-Target Pair