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3 similar compounds to monomer 50261975

Compile data set for download or QSAR
Wt: 463.4
BDBM50261974
Wt: 457.4
BDBM50261757
Wt: 457.4
BDBM50262014

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50261974,50261757,50262014   
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
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50261757
PNG
(3-[[3-(Naphthalen-1-yl)1,2,4-oxadiazole-5-carbonyl...)
Show SMILES FC(F)(F)c1ccc(NC(=S)NNC(=O)c2nc(no2)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H14F3N5O2S/c22-21(23,24)13-8-10-14(11-9-13)25-20(32)28-27-18(30)19-26-17(29-31-19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,27,30)(H2,25,28,32)
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n/an/a 3.18E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 assessed as nicotinamide releasing by microplate filtration assay


J Med Chem 51: 4377-80 (2008)


Article DOI: 10.1021/jm800639h
BindingDB Entry DOI: 10.7270/Q2445M9M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50262014
PNG
(3-[[3-(Naphthalen-1-yl)1,2,4-oxadiazole-5-carbonyl...)
Show SMILES FC(F)(F)c1cccc(NC(=S)NNC(=O)c2nc(no2)-c2cccc3ccccc23)c1
Show InChI InChI=1S/C21H14F3N5O2S/c22-21(23,24)13-7-4-8-14(11-13)25-20(32)28-27-18(30)19-26-17(29-31-19)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,27,30)(H2,25,28,32)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 assessed as nicotinamide releasing by microplate filtration assay


J Med Chem 51: 4377-80 (2008)


Article DOI: 10.1021/jm800639h
BindingDB Entry DOI: 10.7270/Q2445M9M
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50261974
PNG
(3-[[3-(4-tertbutylphenyl)1,2,4-oxadiazole-5-carbon...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)C(=O)NNC(=S)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O2S/c1-20(2,3)13-9-7-12(8-10-13)16-26-18(31-29-16)17(30)27-28-19(32)25-15-6-4-5-14(11-15)21(22,23)24/h4-11H,1-3H3,(H,27,30)(H2,25,28,32)
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n/an/a 5.70E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 assessed as nicotinamide releasing by microplate filtration assay


J Med Chem 51: 4377-80 (2008)


Article DOI: 10.1021/jm800639h
BindingDB Entry DOI: 10.7270/Q2445M9M
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50261757
PNG
(3-[[3-(Naphthalen-1-yl)1,2,4-oxadiazole-5-carbonyl...)
Show SMILES FC(F)(F)c1ccc(NC(=S)NNC(=O)c2nc(no2)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H14F3N5O2S/c22-21(23,24)13-8-10-14(11-9-13)25-20(32)28-27-18(30)19-26-17(29-31-19)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,27,30)(H2,25,28,32)
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n/an/a 7.40E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 assessed as nicotinamide releasing by microplate filtration assay


J Med Chem 51: 4377-80 (2008)


Article DOI: 10.1021/jm800639h
BindingDB Entry DOI: 10.7270/Q2445M9M
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50262014
PNG
(3-[[3-(Naphthalen-1-yl)1,2,4-oxadiazole-5-carbonyl...)
Show SMILES FC(F)(F)c1cccc(NC(=S)NNC(=O)c2nc(no2)-c2cccc3ccccc23)c1
Show InChI InChI=1S/C21H14F3N5O2S/c22-21(23,24)13-7-4-8-14(11-13)25-20(32)28-27-18(30)19-26-17(29-31-19)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,27,30)(H2,25,28,32)
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n/an/a 1.13E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 assessed as nicotinamide releasing by microplate filtration assay


J Med Chem 51: 4377-80 (2008)


Article DOI: 10.1021/jm800639h
BindingDB Entry DOI: 10.7270/Q2445M9M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50261974
PNG
(3-[[3-(4-tertbutylphenyl)1,2,4-oxadiazole-5-carbon...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)C(=O)NNC(=S)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O2S/c1-20(2,3)13-9-7-12(8-10-13)16-26-18(31-29-16)17(30)27-28-19(32)25-15-6-4-5-14(11-15)21(22,23)24/h4-11H,1-3H3,(H,27,30)(H2,25,28,32)
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n/an/a 1.92E+5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 assessed as nicotinamide releasing by microplate filtration assay


J Med Chem 51: 4377-80 (2008)


Article DOI: 10.1021/jm800639h
BindingDB Entry DOI: 10.7270/Q2445M9M
More data for this
Ligand-Target Pair