Found 412 hits of ic50 for UniProtKB: Q9NTG7 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431118
(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) | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431097
(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) | PDB
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| PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431121
(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) | PDB
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| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431093
(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) | PDB
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| PDB
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PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431116
(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) | PDB
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| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431117
(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) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431119
(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) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431120
(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) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431090
(CHEMBL2338813)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) | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431115
(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) | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431089
(CHEMBL2338814)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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431096
(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) | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431107
(CHEMBL2332052)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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50152067
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.086
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502278
(CHEMBL4438193)Show SMILES CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H87N13O7S/c1-5-7-8-9-10-11-12-13-14-15-16-24-41(70)55-29-18-17-21-38(60-47(69)42(33(3)6-2)62-46(68)37(58-34(4)63)22-19-30-56-48(51)52)44(66)59-39(23-20-31-57-49(53)54)45(67)61-40(43(50)65)32-35-25-27-36(64)28-26-35/h25-28,33,37-40,42,64H,5-24,29-32H2,1-4H3,(H2,50,65)(H,55,70)(H,58,63)(H,59,66)(H,60,69)(H,61,67)(H,62,68)(H4,51,52,56)(H4,53,54,57)/t33-,37-,38-,39-,40-,42-/m0/s1 | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured a... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50152028
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.086
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502269
(CHEMBL4446458)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H71N15O9/c1-4-29(2)42(62-46(72)37(58-30(3)65)10-7-25-56-48(51)52)47(73)60-38(9-5-6-24-55-41(68)28-32-12-16-33(17-13-32)63-64-34-18-22-36(67)23-19-34)44(70)59-39(11-8-26-57-49(53)54)45(71)61-40(43(50)69)27-31-14-20-35(66)21-15-31/h12-23,29,37-40,42,66-67H,4-11,24-28H2,1-3H3,(H2,50,69)(H,55,68)(H,58,65)(H,59,70)(H,60,73)(H,61,71)(H,62,72)(H4,51,52,56)(H4,53,54,57)/b64-63+/t29-,37-,38-,39-,40-,42-/m0/s1 | PDB
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Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured a... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431114
(CHEMBL2332045)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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50152081
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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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)
Article DOI: 10.1016/j.bmcl.2016.01.086
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431091
(CHEMBL2338812)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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431095
(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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50152072
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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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)
Article DOI: 10.1016/j.bmcl.2016.01.086
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502268
(CHEMBL4447813)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H71N15O8/c1-4-30(2)42(62-46(71)37(58-31(3)65)15-10-26-56-48(51)52)47(72)60-38(14-8-9-25-55-41(67)29-33-17-21-35(22-18-33)64-63-34-12-6-5-7-13-34)44(69)59-39(16-11-27-57-49(53)54)45(70)61-40(43(50)68)28-32-19-23-36(66)24-20-32/h5-7,12-13,17-24,30,37-40,42,66H,4,8-11,14-16,25-29H2,1-3H3,(H2,50,68)(H,55,67)(H,58,65)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H4,51,52,56)(H4,53,54,57)/b64-63+/t30-,37-,38-,39-,40-,42-/m0/s1 | PDB
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Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured a... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50152068
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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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)
Article DOI: 10.1016/j.bmcl.2016.01.086
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431094
(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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50595087
(CHEMBL5192844)Show SMILES CCn1c2nc(SSc3nc4n(CC)c(=O)n(CC)c(=O)c4[nH]3)[nH]c2c(=O)n(CC)c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50151929
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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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)
Article DOI: 10.1016/j.bmcl.2016.01.086
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502267
(CHEMBL4457496)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H76N16O8/c1-6-31(2)44(64-48(74)39(60-32(3)68)12-9-27-58-50(53)54)49(75)62-40(11-7-8-26-57-43(70)30-34-14-18-35(19-15-34)65-66-36-20-22-37(23-21-36)67(4)5)46(72)61-41(13-10-28-59-51(55)56)47(73)63-42(45(52)71)29-33-16-24-38(69)25-17-33/h14-25,31,39-42,44,69H,6-13,26-30H2,1-5H3,(H2,52,71)(H,57,70)(H,60,68)(H,61,72)(H,62,75)(H,63,73)(H,64,74)(H4,53,54,58)(H4,55,56,59)/b66-65+/t31-,39-,40-,41-,42-,44-/m0/s1 | PDB
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Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured a... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431103
(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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50595088
(CHEMBL5201717)Show SMILES CCCn1c2nc(SSc3nc4n(CCC)c(=O)n(CCC)c(=O)c4[nH]3)[nH]c2c(=O)n(CCC)c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502278
(CHEMBL4438193)Show SMILES CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H87N13O7S/c1-5-7-8-9-10-11-12-13-14-15-16-24-41(70)55-29-18-17-21-38(60-47(69)42(33(3)6-2)62-46(68)37(58-34(4)63)22-19-30-56-48(51)52)44(66)59-39(23-20-31-57-49(53)54)45(67)61-40(43(50)65)32-35-25-27-36(64)28-26-35/h25-28,33,37-40,42,64H,5-24,29-32H2,1-4H3,(H2,50,65)(H,55,70)(H,58,63)(H,59,66)(H,60,69)(H,61,67)(H,62,68)(H4,51,52,56)(H4,53,54,57)/t33-,37-,38-,39-,40-,42-/m0/s1 | PDB
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Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) demyristoylase activity expressed in Escherichia coli using p53(Myr)-AMC as substrate mea... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431101
(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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50595091
(CHEMBL5195052)Show SMILES CCn1c2nc(SSc3nc4n(CC)c(=O)n(CC5CCOCC5)c(=O)c4[nH]3)[nH]c2c(=O)n(CC2CCOCC2)c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50595092
(CHEMBL5182719)Show SMILES CCn1c2nc(SSc3nc4n(CC)c(=O)n(CCc5ccccc5)c(=O)c4[nH]3)[nH]c2c(=O)n(CCc2ccccc2)c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502265
(CHEMBL4461872)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(cc1)N(CC)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C53H80N16O8/c1-6-33(4)46(66-50(76)41(62-34(5)70)14-11-29-60-52(55)56)51(77)64-42(48(74)63-43(15-12-30-61-53(57)58)49(75)65-44(47(54)73)31-35-18-26-40(71)27-19-35)13-9-10-28-59-45(72)32-36-16-20-37(21-17-36)67-68-38-22-24-39(25-23-38)69(7-2)8-3/h16-27,33,41-44,46,71H,6-15,28-32H2,1-5H3,(H2,54,73)(H,59,72)(H,62,70)(H,63,74)(H,64,77)(H,65,75)(H,66,76)(H4,55,56,60)(H4,57,58,61)/b68-67+/t33-,41-,42-,43-,44-,46-/m0/s1 | PDB
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Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured a... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502269
(CHEMBL4446458)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H71N15O9/c1-4-29(2)42(62-46(72)37(58-30(3)65)10-7-25-56-48(51)52)47(73)60-38(9-5-6-24-55-41(68)28-32-12-16-33(17-13-32)63-64-34-18-22-36(67)23-19-34)44(70)59-39(11-8-26-57-49(53)54)45(71)61-40(43(50)69)27-31-14-20-35(66)21-15-31/h12-23,29,37-40,42,66-67H,4-11,24-28H2,1-3H3,(H2,50,69)(H,55,68)(H,58,65)(H,59,70)(H,60,73)(H,61,71)(H,62,72)(H4,51,52,56)(H4,53,54,57)/b64-63+/t29-,37-,38-,39-,40-,42-/m0/s1 | PDB
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Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) demyristoylase activity expressed in Escherichia coli using p53(Myr)-AMC as substrate mea... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50595089
(CHEMBL5192524)Show SMILES CCn1c2nc(SSc3nc4n(CC)c(=O)n(CCc5ccc(OC)cc5)c(=O)c4[nH]3)[nH]c2c(=O)n(CCc2ccc(OC)cc2)c1=O | PDB
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| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50151928
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2016.01.086
BindingDB Entry DOI: 10.7270/Q2HM5B9J |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431106
(CHEMBL2332053)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) | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431113
(CHEMBL2332046)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) | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50498614
(CHEMBL3608444)Show SMILES CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H44N6O5S/c1-19(35)30-17-9-7-13-24(32-20(2)36)27(38)34-25(14-8-10-18-31-21(3)40)28(39)33-23(26(29)37)16-15-22-11-5-4-6-12-22/h4-6,11-12,23-25H,7-10,13-18H2,1-3H3,(H2,29,37)(H,30,35)(H,31,40)(H,32,36)(H,33,39)(H,34,38)/t23-,24-,25-/m0/s1 | PDB
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD |
Bioorg Med Chem Lett 25: 3481-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.008
BindingDB Entry DOI: 10.7270/Q2GQ71R4 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502267
(CHEMBL4457496)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccc(cc1)N(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C51H76N16O8/c1-6-31(2)44(64-48(74)39(60-32(3)68)12-9-27-58-50(53)54)49(75)62-40(11-7-8-26-57-43(70)30-34-14-18-35(19-15-34)65-66-36-20-22-37(23-21-36)67(4)5)46(72)61-41(13-10-28-59-51(55)56)47(73)63-42(45(52)71)29-33-16-24-38(69)25-17-33/h14-25,31,39-42,44,69H,6-13,26-30H2,1-5H3,(H2,52,71)(H,57,70)(H,60,68)(H,61,72)(H,62,75)(H,63,73)(H,64,74)(H4,53,54,58)(H4,55,56,59)/b66-65+/t31-,39-,40-,41-,42-,44-/m0/s1 | PDB
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Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) demyristoylase activity expressed in Escherichia coli using p53(Myr)-AMC as substrate mea... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50502268
(CHEMBL4447813)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H71N15O8/c1-4-30(2)42(62-46(71)37(58-31(3)65)15-10-26-56-48(51)52)47(72)60-38(14-8-9-25-55-41(67)29-33-17-21-35(22-18-33)64-63-34-12-6-5-7-13-34)44(69)59-39(16-11-27-57-49(53)54)45(70)61-40(43(50)68)28-32-19-23-36(66)24-20-32/h5-7,12-13,17-24,30,37-40,42,66H,4,8-11,14-16,25-29H2,1-3H3,(H2,50,68)(H,55,67)(H,58,65)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H4,51,52,56)(H4,53,54,57)/b64-63+/t30-,37-,38-,39-,40-,42-/m0/s1 | PDB
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| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human SIRT3 (118 to 399 residues) demyristoylase activity expressed in Escherichia coli using p53(Myr)-AMC as substrate mea... |
J Med Chem 62: 5434-5452 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00315
BindingDB Entry DOI: 10.7270/Q2HH6P91 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50498600
(CHEMBL3609653)Show SMILES CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CNC(C)=O)C(N)=O |r| Show InChI InChI=1S/C23H41N7O6S/c1-14(31)25-11-7-5-9-18(28-16(3)33)22(35)29-19(10-6-8-12-26-17(4)37)23(36)30-20(21(24)34)13-27-15(2)32/h18-20H,5-13H2,1-4H3,(H2,24,34)(H,25,31)(H,26,37)(H,27,32)(H,28,33)(H,29,35)(H,30,36)/t18-,19-,20-/m0/s1 | PDB
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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD |
Bioorg Med Chem Lett 25: 3481-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.008
BindingDB Entry DOI: 10.7270/Q2GQ71R4 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50431092
(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) | PDB
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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)
Article DOI: 10.1021/jm400204k
BindingDB Entry DOI: 10.7270/Q2D50P9C |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50595090
(CHEMBL5199223)Show SMILES CCn1c2nc(SSc3nc4n(CC)c(=O)n(CC(C)C)c(=O)c4[nH]3)[nH]c2c(=O)n(CC(C)C)c1=O | PDB
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| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114363
BindingDB Entry DOI: 10.7270/Q26W9G30 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50498618
(CHEMBL3609646)Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r| Show InChI InChI=1S/C24H44N6O5S/c1-5-6-11-20(28-17(3)32)23(34)30-21(13-8-10-15-27-18(4)36)24(35)29-19(22(25)33)12-7-9-14-26-16(2)31/h19-21H,5-15H2,1-4H3,(H2,25,33)(H,26,31)(H,27,36)(H,28,32)(H,29,35)(H,30,34)/t19-,20-,21-/m0/s1 | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD |
Bioorg Med Chem Lett 25: 3481-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.008
BindingDB Entry DOI: 10.7270/Q2GQ71R4 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50197508
(CHEMBL3889954)Show SMILES CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC1=O)C(N)=O |r| Show InChI InChI=1S/C28H50N6O5S/c1-3-4-13-22-27(38)34-23(15-10-11-18-30-20(2)40)28(39)33-21(26(29)37)14-9-12-19-31-24(35)16-7-5-6-8-17-25(36)32-22/h21-23H,3-19H2,1-2H3,(H2,29,37)(H,30,40)(H,31,35)(H,32,36)(H,33,39)(H,34,38)/t21-,22-,23-/m0/s1 | PDB
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| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged SIRT3 using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate incubated for 10 mins in presence of bet... |
Bioorg Med Chem Lett 26: 5234-5239 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.055
BindingDB Entry DOI: 10.7270/Q20R9RCN |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50498617
(CHEMBL3609652)Show SMILES CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C33H46N6O5S/c1-22(40)35-19-9-7-13-28(31(34)42)38-32(43)29(14-8-10-20-36-24(3)45)39-33(44)30(37-23(2)41)21-25-15-17-27(18-16-25)26-11-5-4-6-12-26/h4-6,11-12,15-18,28-30H,7-10,13-14,19-21H2,1-3H3,(H2,34,42)(H,35,40)(H,36,45)(H,37,41)(H,38,43)(H,39,44)/t28-,29-,30-/m0/s1 | PDB
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| Article
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD |
Bioorg Med Chem Lett 25: 3481-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.008
BindingDB Entry DOI: 10.7270/Q2GQ71R4 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-3, mitochondrial
(Homo sapiens (Human)) | BDBM50498612
(CHEMBL3608441)Show SMILES CCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C23H42N6O5S/c1-5-10-18(21(24)32)28-23(34)20(12-7-9-14-26-17(4)35)29-22(33)19(27-16(3)31)11-6-8-13-25-15(2)30/h18-20H,5-14H2,1-4H3,(H2,24,32)(H,25,30)(H,26,35)(H,27,31)(H,28,34)(H,29,33)/t18-,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description
Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD |
Bioorg Med Chem Lett 25: 3481-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.008
BindingDB Entry DOI: 10.7270/Q2GQ71R4 |
More data for this
Ligand-Target Pair | |
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