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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Presenilin-1' and Ligand = 'BDBM50110164'   
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))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9|
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in HEK293 cells co-overexpressing NotchdeltaE assessed as inhibition of notch cleavage by luciferase reporter gene assa...


Bioorg Med Chem Lett 20: 5282-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.131
BindingDB Entry DOI: 10.7270/Q2NK3HVX
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9|
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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Article
PubMed
n/an/a 5.71E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]L685458 from gamma-secretase in human THP1 cells


J Biol Chem 282: 36829-36 (2007)


Article DOI: 10.1074/jbc.m707002200
BindingDB Entry DOI: 10.7270/Q2X3517G
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9|
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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CHEMBL
MCE
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Article
PubMed
n/an/a 8.25E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 42 production by luciferase...


Bioorg Med Chem Lett 20: 5282-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.131
BindingDB Entry DOI: 10.7270/Q2NK3HVX
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9|
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
PDB
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CHEMBL
MCE
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Article
PubMed
n/an/a 2.15E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production by luciferase...


Bioorg Med Chem Lett 20: 5282-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.131
BindingDB Entry DOI: 10.7270/Q2NK3HVX
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |t:9|
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.32E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]IN973 from gamma-secretase in human THP1 cells


J Biol Chem 282: 36829-36 (2007)


Article DOI: 10.1074/jbc.m707002200
BindingDB Entry DOI: 10.7270/Q2X3517G
More data for this
Ligand-Target Pair