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Compile Data Set for Download or QSAR

Found 214 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-3 (SIRT3)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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45n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Competitive inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using varying (Ac)...


J Med Chem 57: 8340-57 (2014)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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131n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK(Ac)-AMC substra...


J Med Chem 57: 8340-57 (2014)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50030100
PNG
(CHEMBL3343652)
Show SMILES NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
Show InChI InChI=1S/C23H17N3O3/c24-22(27)16-12-17(14-25-13-16)29-21-11-5-8-18-19(21)9-4-10-20(18)26-23(28)15-6-2-1-3-7-15/h1-14H,(H2,24,27)(H,26,28)
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165n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Non-competitive inhibition of catalytically active human SIRT3 (102 to 399 amino acids) expressed in Escherichia coli BL21 (DE3) cells using (Ac)RHKK...


J Med Chem 57: 8340-57 (2014)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168918
PNG
(CHEMBL3806063)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnc3)c2)c1
Show InChI InChI=1S/C19H16N4O3/c20-18(24)15-8-17(11-22-10-15)26-12-13-3-1-5-16(7-13)23-19(25)14-4-2-6-21-9-14/h1-11H,12H2,(H2,20,24)(H,23,25)
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3.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168905
PNG
(CHEMBL3805692)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCOCC3)c2)c1
Show InChI InChI=1S/C24H24N4O4/c25-23(29)19-13-22(15-26-14-19)32-16-17-2-1-3-20(12-17)27-24(30)18-4-6-21(7-5-18)28-8-10-31-11-9-28/h1-7,12-15H,8-11,16H2,(H2,25,29)(H,27,30)
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5.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168921
PNG
(CHEMBL3806257)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncc3)c2)c1
Show InChI InChI=1S/C19H16N4O3/c20-18(24)15-9-17(11-22-10-15)26-12-13-2-1-3-16(8-13)23-19(25)14-4-6-21-7-5-14/h1-11H,12H2,(H2,20,24)(H,23,25)
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7.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168493
PNG
(CHEMBL3805479)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccs3)c2)c1
Show InChI InChI=1S/C24H19N3O3S/c25-23(28)19-12-21(14-26-13-19)30-15-16-3-1-4-20(11-16)27-24(29)18-8-6-17(7-9-18)22-5-2-10-31-22/h1-14H,15H2,(H2,25,28)(H,27,29)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT3 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431118
PNG
(CHEMBL2332041)
Show SMILES CC(C)(C)OC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C24H29N5O4S2/c1-24(2,3)33-23(32)17-5-4-16(34-17)22(31)26-9-6-14-7-10-29(11-8-14)21-19-15(27-13-28-21)12-18(35-19)20(25)30/h4-5,12-14H,6-11H2,1-3H3,(H2,25,30)(H,26,31)
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n/an/a 3.20n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431097
PNG
(CHEMBL2332039)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C22H26N6O3S2/c1-2-24-21(30)15-3-4-16(32-15)22(31)25-8-5-13-6-9-28(10-7-13)20-18-14(26-12-27-20)11-17(33-18)19(23)29/h3-4,11-13H,2,5-10H2,1H3,(H2,23,29)(H,24,30)(H,25,31)
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n/an/a 4n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431121
PNG
(CHEMBL2332037)
Show SMILES CCNC(=O)c1cccc(c1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C24H28N6O3S/c1-2-26-23(32)16-4-3-5-17(12-16)24(33)27-9-6-15-7-10-30(11-8-15)22-20-18(28-14-29-22)13-19(34-20)21(25)31/h3-5,12-15H,2,6-11H2,1H3,(H2,25,31)(H,26,32)(H,27,33)
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n/an/a 4.90n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431093
PNG
(CHEMBL2338810)
Show SMILES CS(=O)(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21)
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n/an/a 7.20n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431116
PNG
(CHEMBL2332043)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
Show InChI InChI=1S/C19H21N5O2S2/c20-17(25)15-10-13-16(28-15)18(23-11-22-13)24-7-4-12(5-8-24)3-6-21-19(26)14-2-1-9-27-14/h1-2,9-12H,3-8H2,(H2,20,25)(H,21,26)
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n/an/a 7.60n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431117
PNG
(CHEMBL2332042)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4ccc(s4)C(O)=O)CC3)c2s1
Show InChI InChI=1S/C20H21N5O4S2/c21-17(26)15-9-12-16(31-15)18(24-10-23-12)25-7-4-11(5-8-25)3-6-22-19(27)13-1-2-14(30-13)20(28)29/h1-2,9-11H,3-8H2,(H2,21,26)(H,22,27)(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431119
PNG
(CHEMBL2332040)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C21H25N7O3S2/c1-2-23-20(30)14-3-4-15(32-14)21(31)24-5-6-27-7-9-28(10-8-27)19-17-13(25-12-26-19)11-16(33-17)18(22)29/h3-4,11-12H,2,5-10H2,1H3,(H2,22,29)(H,23,30)(H,24,31)
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n/an/a 23n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431120
PNG
(CHEMBL2332038)
Show SMILES CCNC(=O)c1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C23H27N7O3S/c1-2-25-22(32)15-4-3-5-16(12-15)23(33)26-6-7-29-8-10-30(11-9-29)21-19-17(27-14-28-21)13-18(34-19)20(24)31/h3-5,12-14H,2,6-11H2,1H3,(H2,24,31)(H,25,32)(H,26,33)
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n/an/a 24n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431090
PNG
(CHEMBL2338813)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1
Show InChI InChI=1S/C18H25N5OS/c19-17(24)15-11-14-16(25-15)18(21-12-20-14)23-9-4-13(5-10-23)3-8-22-6-1-2-7-22/h11-13H,1-10H2,(H2,19,24)
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n/an/a 28n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431115
PNG
(CHEMBL2332044)
Show SMILES CC(C)(C)OC(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C19H27N5O3S/c1-19(2,3)27-18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(28-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26)
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n/an/a 29n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431089
PNG
(CHEMBL2338814)
Show SMILES NC(=O)c1cc2ncnc(N3CCN(CCN4CCCC4)CC3)c2s1
Show InChI InChI=1S/C17H24N6OS/c18-16(24)14-11-13-15(25-14)17(20-12-19-13)23-9-7-22(8-10-23)6-5-21-3-1-2-4-21/h11-12H,1-10H2,(H2,18,24)
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n/an/a 30n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431096
PNG
(CHEMBL2332055)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C19H27N5O2S/c1-19(2,3)18(26)21-7-4-12-5-8-24(9-6-12)17-15-13(22-11-23-17)10-14(27-15)16(20)25/h10-12H,4-9H2,1-3H3,(H2,20,25)(H,21,26)
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n/an/a 33n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431107
PNG
(CHEMBL2332052)
Show SMILES CC(=S)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C16H21N5OS2/c1-10(23)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)22/h8-9,11H,2-7H2,1H3,(H2,17,22)(H,18,23)
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n/an/a 39n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50152067
PNG
(CHEMBL3781397)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=1/C45H80N12O10S2/c1-30(58)53-33-17-10-14-25-49-39(61)28-51-37(59)20-6-4-5-7-21-38(60)52-29-40(62)50-26-15-11-19-35(43(65)54-32(41(47)63)22-27-69-3)56-45(67)36(18-9-13-24-48-31(2)68)57-44(66)34(55-42(33)64)16-8-12-23-46/h32-36H,4-29,46H2,1-3H3,(H2,47,63)(H,48,68)(H,49,61)(H,50,62)(H,51,59)(H,52,60)(H,53,58)(H,54,65)(H,55,64)(H,56,67)(H,57,66)/t32-,33-,34-,35-,36-/s2
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n/an/a 43n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC a...


Bioorg Med Chem Lett 26: 1612-7 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50152028
PNG
(CHEMBL3781226)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=1/C43H76N12O10S2/c1-28(56)51-31-15-8-12-23-47-37(59)26-49-35(57)18-4-5-19-36(58)50-27-38(60)48-24-13-9-17-33(41(63)52-30(39(45)61)20-25-67-3)54-43(65)34(16-7-11-22-46-29(2)66)55-42(64)32(53-40(31)62)14-6-10-21-44/h30-34H,4-27,44H2,1-3H3,(H2,45,61)(H,46,66)(H,47,59)(H,48,60)(H,49,57)(H,50,58)(H,51,56)(H,52,63)(H,53,62)(H,54,65)(H,55,64)/t30-,31-,32-,33-,34-/s2
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n/an/a 53n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC a...


Bioorg Med Chem Lett 26: 1612-7 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431114
PNG
(CHEMBL2332045)
Show SMILES CC(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C16H21N5O2S/c1-10(22)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)23/h8-9,11H,2-7H2,1H3,(H2,17,23)(H,18,22)
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n/an/a 56n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50152081
PNG
(CHEMBL3781129)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=1/C41H74N10O8S2/c1-28(52)47-31-17-10-14-25-45-35(53)20-6-4-5-7-21-36(54)46-26-15-11-19-33(39(57)48-30(37(43)55)22-27-61-3)50-41(59)34(18-9-13-24-44-29(2)60)51-40(58)32(49-38(31)56)16-8-12-23-42/h30-34H,4-27,42H2,1-3H3,(H2,43,55)(H,44,60)(H,45,53)(H,46,54)(H,47,52)(H,48,57)(H,49,56)(H,50,59)(H,51,58)/t30-,31-,32-,33-,34-/s2
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n/an/a 57n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC a...


Bioorg Med Chem Lett 26: 1612-7 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431091
PNG
(CHEMBL2338812)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CN4CCCC4)CC3)c2s1
Show InChI InChI=1S/C17H23N5OS/c18-16(23)14-9-13-15(24-14)17(20-11-19-13)22-7-3-12(4-8-22)10-21-5-1-2-6-21/h9,11-12H,1-8,10H2,(H2,18,23)
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n/an/a 61n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431095
PNG
(CHEMBL2338808)
Show SMILES CC(C)(C)C(=O)NCCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C20H29N5O2S/c1-20(2,3)19(27)22-8-4-5-13-6-9-25(10-7-13)18-16-14(23-12-24-18)11-15(28-16)17(21)26/h11-13H,4-10H2,1-3H3,(H2,21,26)(H,22,27)
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n/an/a 67n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50152072
PNG
(CHEMBL3780552)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=1/C39H70N10O8S2/c1-26(50)45-29-15-8-12-23-43-33(51)18-4-5-19-34(52)44-24-13-9-17-31(37(55)46-28(35(41)53)20-25-59-3)48-39(57)32(16-7-11-22-42-27(2)58)49-38(56)30(47-36(29)54)14-6-10-21-40/h28-32H,4-25,40H2,1-3H3,(H2,41,53)(H,42,58)(H,43,51)(H,44,52)(H,45,50)(H,46,55)(H,47,54)(H,48,57)(H,49,56)/t28-,29-,30-,31-,32-/s2
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n/an/a 71n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC a...


Bioorg Med Chem Lett 26: 1612-7 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50152068
PNG
(CHEMBL3781485)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=1/C37H66N10O8S2/c1-24(48)43-27-13-6-10-21-41-31(49)16-17-32(50)42-22-11-7-15-29(35(53)44-26(33(39)51)18-23-57-3)46-37(55)30(14-5-9-20-40-25(2)56)47-36(54)28(45-34(27)52)12-4-8-19-38/h26-30H,4-23,38H2,1-3H3,(H2,39,51)(H,40,56)(H,41,49)(H,42,50)(H,43,48)(H,44,53)(H,45,52)(H,46,55)(H,47,54)/t26-,27-,28-,29-,30-/s2
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n/an/a 83n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC a...


Bioorg Med Chem Lett 26: 1612-7 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431094
PNG
(CHEMBL2338809)
Show SMILES CC(C)(C)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C18H26N6O2S/c1-18(2,3)17(26)20-4-5-23-6-8-24(9-7-23)16-14-12(21-11-22-16)10-13(27-14)15(19)25/h10-11H,4-9H2,1-3H3,(H2,19,25)(H,20,26)
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n/an/a 92n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50151929
PNG
(CHEMBL3780405)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=1/C41H72N12O10S2/c1-26(54)49-29-13-6-10-21-45-35(57)24-47-33(55)16-17-34(56)48-25-36(58)46-22-11-7-15-31(39(61)50-28(37(43)59)18-23-65-3)52-41(63)32(14-5-9-20-44-27(2)64)53-40(62)30(51-38(29)60)12-4-8-19-42/h28-32H,4-25,42H2,1-3H3,(H2,43,59)(H,44,64)(H,45,57)(H,46,58)(H,47,55)(H,48,56)(H,49,54)(H,50,61)(H,51,60)(H,52,63)(H,53,62)/t28-,29-,30-,31-,32-/s2
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n/an/a 103n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC a...


Bioorg Med Chem Lett 26: 1612-7 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431103
PNG
(CHEMBL2338816)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1ccnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C20H28N4O2S/c1-20(2,3)19(26)23-8-4-13-6-10-24(11-7-13)15-5-9-22-14-12-16(18(21)25)27-17(14)15/h5,9,12-13H,4,6-8,10-11H2,1-3H3,(H2,21,25)(H,23,26)
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n/an/a 110n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431101
PNG
(CHEMBL2338818)
Show SMILES Cc1c(sc2c(ncnc12)N1CCC(CCNC(=O)C(C)(C)C)CC1)C(N)=O
Show InChI InChI=1S/C20H29N5O2S/c1-12-14-16(28-15(12)17(21)26)18(24-11-23-14)25-9-6-13(7-10-25)5-8-22-19(27)20(2,3)4/h11,13H,5-10H2,1-4H3,(H2,21,26)(H,22,27)
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n/an/a 150n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50151928
PNG
(CHEMBL3781645)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(N)=O
Show InChI InChI=1/C33H58N10O6S2/c1-20(2)16-27(32(48)40-24(29(35)45)12-15-51-5)43-31(47)26(11-7-9-14-37-22(4)50)41-30(46)25(10-6-8-13-34)42-33(49)28(39-21(3)44)17-23-18-36-19-38-23/h18-20,24-28H,6-17,34H2,1-5H3,(H2,35,45)(H,36,38)(H,37,50)(H,39,44)(H,40,48)(H,41,46)(H,42,49)(H,43,47)/t24-,25-,26-,27-,28-/s2
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n/an/a 270n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC a...


Bioorg Med Chem Lett 26: 1612-7 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431106
PNG
(CHEMBL2332053)
Show SMILES CC(=S)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H20N6OS2/c1-10(23)17-2-3-20-4-6-21(7-5-20)15-13-11(18-9-19-15)8-12(24-13)14(16)22/h8-9H,2-7H2,1H3,(H2,16,22)(H,17,23)
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n/an/a 280n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431113
PNG
(CHEMBL2332046)
Show SMILES NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C14H19N5OS/c15-4-1-9-2-5-19(6-3-9)14-12-10(17-8-18-14)7-11(21-12)13(16)20/h7-9H,1-6,15H2,(H2,16,20)
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n/an/a 300n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431092
PNG
(CHEMBL2338811)
Show SMILES CS(=O)(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C14H20N6O3S2/c1-25(22,23)18-2-3-19-4-6-20(7-5-19)14-12-10(16-9-17-14)8-11(24-12)13(15)21/h8-9,18H,2-7H2,1H3,(H2,15,21)
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n/an/a 370n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50152093
PNG
(CHEMBL3779989)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC1=O)C(N)=O
Show InChI InChI=1/C78H113F3N24O24S/c1-3-38(2)60-74(128)95-44(13-7-8-24-89-75(129)78(79,80)81)62(116)93-45(14-9-25-90-76(85)86)63(117)96-49(29-41-18-22-43(111)23-19-41)67(121)101-53(33-107)71(125)99-51(31-58(83)113)69(123)102-54(34-108)72(126)103-55(35-109)73(127)104-56(61(84)115)36-130-37-59(114)92-47(28-40-16-20-42(110)21-17-40)65(119)100-52(32-106)70(124)98-50(30-57(82)112)68(122)97-48(27-39-11-5-4-6-12-39)66(120)94-46(64(118)105-60)15-10-26-91-77(87)88/h4-6,11-12,16-23,38,44-56,60,106-111H,3,7-10,13-15,24-37H2,1-2H3,(H2,82,112)(H2,83,113)(H2,84,115)(H,89,129)(H,92,114)(H,93,116)(H,94,120)(H,95,128)(H,96,117)(H,97,122)(H,98,124)(H,99,125)(H,100,119)(H,101,121)(H,102,123)(H,103,126)(H,104,127)(H,105,118)(H4,85,86,90)(H4,87,88,91)/t38-,44-,45-,46-,47-,48-,49-,50-,51-,52+,53-,54-,55-,56-,60-/s2
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n/an/a 480n/an/an/an/an/an/a



Jiangsu University

Curated by ChEMBL


Assay Description
Inhibition of SIRT3 (unknown origin)


Bioorg Med Chem Lett 26: 1612-7 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168487
PNG
(CHEMBL3805835)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccccn3)c2)c1
Show InChI InChI=1S/C25H20N4O3/c26-24(30)20-13-22(15-27-14-20)32-16-17-4-3-5-21(12-17)29-25(31)19-9-7-18(8-10-19)23-6-1-2-11-28-23/h1-15H,16H2,(H2,26,30)(H,29,31)
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n/an/a 503n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168906
PNG
(CHEMBL3805538)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCNCC3)c2)c1
Show InChI InChI=1S/C24H25N5O3/c25-23(30)19-13-22(15-27-14-19)32-16-17-2-1-3-20(12-17)28-24(31)18-4-6-21(7-5-18)29-10-8-26-9-11-29/h1-7,12-15,26H,8-11,16H2,(H2,25,30)(H,28,31)
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n/an/a 580n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431105
PNG
(CHEMBL2332054)
Show SMILES CC(C)(C)C(=O)NCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C18H25N5O2S/c1-18(2,3)17(25)20-9-11-4-6-23(7-5-11)16-14-12(21-10-22-16)8-13(26-14)15(19)24/h8,10-11H,4-7,9H2,1-3H3,(H2,19,24)(H,20,25)
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n/an/a 650n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168485
PNG
(CHEMBL3806268)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccncc3)c2)c1
Show InChI InChI=1S/C25H20N4O3/c26-24(30)21-13-23(15-28-14-21)32-16-17-2-1-3-22(12-17)29-25(31)20-6-4-18(5-7-20)19-8-10-27-11-9-19/h1-15H,16H2,(H2,26,30)(H,29,31)
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n/an/a 697n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168928
PNG
(CHEMBL3805547)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccncc3)c2)c1
Show InChI InChI=1S/C21H18N4O3/c22-21(27)17-11-19(13-24-12-17)28-14-16-2-1-3-18(10-16)25-20(26)5-4-15-6-8-23-9-7-15/h1-13H,14H2,(H2,22,27)(H,25,26)/b5-4+
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n/an/a 723n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50431108
PNG
(CHEMBL2332051)
Show SMILES CC(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H20N6O2S/c1-10(22)17-2-3-20-4-6-21(7-5-20)15-13-11(18-9-19-15)8-12(24-13)14(16)23/h8-9H,2-7H2,1H3,(H2,16,23)(H,17,22)
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n/an/a 770n/an/an/an/an/an/a



Sirtris a GSK Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged SIRT3 (102 to 399) expressed in Escherichia coli BL21(DE3) assessed as inhibition of deacetylation of Ac-RHKKAcW-NH2 s...


J Med Chem 56: 3666-79 (2013)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168935
PNG
(CHEMBL3805934)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C25H19FN4O3/c26-23-11-17(6-7-22(23)18-4-2-8-28-12-18)25(32)30-20-5-1-3-16(9-20)15-33-21-10-19(24(27)31)13-29-14-21/h1-14H,15H2,(H2,27,31)(H,30,32)
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n/an/a 776n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168489
PNG
(CHEMBL3805950)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3ccnc3)c2)c1
Show InChI InChI=1S/C23H19N5O3/c24-22(29)18-11-21(13-26-12-18)31-14-16-2-1-3-19(10-16)27-23(30)17-4-6-20(7-5-17)28-9-8-25-15-28/h1-13,15H,14H2,(H2,24,29)(H,27,30)
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n/an/a 827n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168486
PNG
(CHEMBL3805847)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccnc3)c2)c1
Show InChI InChI=1S/C25H20N4O3/c26-24(30)21-12-23(15-28-14-21)32-16-17-3-1-5-22(11-17)29-25(31)19-8-6-18(7-9-19)20-4-2-10-27-13-20/h1-15H,16H2,(H2,26,30)(H,29,31)
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n/an/a 829n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168488
PNG
(CHEMBL3804834)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cnnc3)c2)c1
Show InChI InChI=1S/C22H18N6O3/c23-21(29)17-9-20(11-24-10-17)31-12-15-2-1-3-18(8-15)27-22(30)16-4-6-19(7-5-16)28-13-25-26-14-28/h1-11,13-14H,12H2,(H2,23,29)(H,27,30)
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n/an/a 843n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168903
PNG
(CHEMBL3805035)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCCC3)c2)c1
Show InChI InChI=1S/C24H24N4O3/c25-23(29)19-13-22(15-26-14-19)31-16-17-4-3-5-20(12-17)27-24(30)18-6-8-21(9-7-18)28-10-1-2-11-28/h3-9,12-15H,1-2,10-11,16H2,(H2,25,29)(H,27,30)
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n/an/a 910n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168832
PNG
(CHEMBL3805381)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc4ccccc34)c2)c1
Show InChI InChI=1S/C24H19N3O3/c25-23(28)18-12-20(14-26-13-18)30-15-16-5-3-8-19(11-16)27-24(29)22-10-4-7-17-6-1-2-9-21(17)22/h1-14H,15H2,(H2,25,28)(H,27,29)
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n/an/a 1.08E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50168735
PNG
(CHEMBL3805929)
Show SMILES NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cn[nH]c4c3)c2)c1
Show InChI InChI=1S/C21H17N5O3/c22-20(27)16-7-18(11-23-9-16)29-12-13-2-1-3-17(6-13)25-21(28)14-4-5-15-10-24-26-19(15)8-14/h1-11H,12H2,(H2,22,27)(H,24,26)(H,25,28)
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102 to 399 residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate incubated for 2 hrs by fluorescence...


J Med Chem 59: 2928-41 (2016)

More data for this
Ligand-Target Pair
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