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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50436209'   
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))
BDBM50436209
PNG
(CHEMBL2398571)
Show SMILES [#6]-[#6](-[#6](-[#8])=O)-c1ccc2c(c1)n(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1ccc(Cl)cc21
Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2013.04.070
BindingDB Entry DOI: 10.7270/Q2DF6SMP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50436209
PNG
(CHEMBL2398571)
Show SMILES [#6]-[#6](-[#6](-[#8])=O)-c1ccc2c(c1)n(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1ccc(Cl)cc21
Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2013.04.070
BindingDB Entry DOI: 10.7270/Q2DF6SMP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50436209
PNG
(CHEMBL2398571)
Show SMILES [#6]-[#6](-[#6](-[#8])=O)-c1ccc2c(c1)n(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1ccc(Cl)cc21
Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+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)


Article DOI: 10.1016/j.bmcl.2013.04.070
BindingDB Entry DOI: 10.7270/Q2DF6SMP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50436209
PNG
(CHEMBL2398571)
Show SMILES [#6]-[#6](-[#6](-[#8])=O)-c1ccc2c(c1)n(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1ccc(Cl)cc21
Show InChI InChI=1S/C30H36ClNO2/c1-20(2)8-6-9-21(3)10-7-11-22(4)16-17-32-28-15-13-25(31)19-27(28)26-14-12-24(18-29(26)32)23(5)30(33)34/h8,10,12-16,18-19,23H,6-7,9,11,17H2,1-5H3,(H,33,34)/b21-10+,22-16+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+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)


Article DOI: 10.1016/j.bmcl.2013.04.070
BindingDB Entry DOI: 10.7270/Q2DF6SMP
More data for this
Ligand-Target Pair