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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50436206'   
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))
BDBM50436206
PNG
(CHEMBL2398567)
Show SMILES CCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
Show InChI InChI=1S/C27H42O6/c1-6-7-8-9-10-11-12-13-14-17-31-26(30)27(5)16-15-22-21(4)24(32-18-23(28)29)19(2)20(3)25(22)33-27/h6-18H2,1-5H3,(H,28,29)
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3852-6 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


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

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3852-6 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


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

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 3852-6 (2013)

More data for this
Ligand-Target Pair
Presenilin-1


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

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Technische Universit£t Darmstadt

Curated by ChEMBL


Assay Description
Modulation of human gamma-secretase presenilin-1 subunit expressed in CHO cells coexpressing human APP assessed as increase in amyloid beta 38 genera...


Bioorg Med Chem Lett 23: 3852-6 (2013)

More data for this
Ligand-Target Pair