Found 162 hits of affinity data for UniProtKB/TrEMBL: Q8N6T7 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
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| PDB
Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of full length SIRT6 (unknown origin) using acetylated H3K9 peptide as substrate after 2 hrs in presence of NAD |
J Med Chem 61: 10922-10928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01455
BindingDB Entry DOI: 10.7270/Q2GQ71GJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
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UniChem
| PDB
| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at adrenergic Alpha-1D receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
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| PDB
| 4.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at adrenergic Alpha-1D receptor in rat aorta |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408840
(CHEMBL5271662)Show SMILES CN1C[C@H](COC(=O)C2CCC2)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:13| Show InChI InChI=1S/C21H24N2O2/c1-23-11-13(12-25-21(24)14-4-2-5-14)8-17-16-6-3-7-18-20(16)15(10-22-18)9-19(17)23/h3,6-8,10,13-14,19,22H,2,4-5,9,11-12H2,1H3/t13-,19-/m1/s1 | PDB
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| CHEMBL
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UniChem
Similars
| | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at adrenergic alpha1A receptor in rat tail artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
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| PDB
Article
PubMed
| 4.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bayreuth
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT6 preincubated for 5 mins in presence of substrate followed enzyme addition measured after 5 to 10 mins in presence of NAD by... |
J Med Chem 61: 10922-10928 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01455
BindingDB Entry DOI: 10.7270/Q2GQ71GJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
NAD-dependent protein deacylase sirtuin-6
(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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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal polyhis-tagged SIRT6 (1 to 355 residues) defatty-acylase activity expressed in Escherichia coli using SFP3... |
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 deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408842
(CHEMBL5277251)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(C)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C19H24N2/c1-12(2)21-11-14-9-18-16(8-13(3)10-20(18)4)15-6-5-7-17(21)19(14)15/h5-8,11-12,16,18H,9-10H2,1-4H3/t16-,18-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 256 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant FAAH |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408843
(CHEMBL5274589)Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CCCCC4)C=C3c3cccc1c23 |c:23| Show InChI InChI=1S/C26H34N2O2/c1-17(2)28-15-20-13-24-22(21-10-7-11-23(28)25(20)21)12-18(14-27(24)3)16-30-26(29)19-8-5-4-6-9-19/h7,10-12,15,17-19,24H,4-6,8-9,13-14,16H2,1-3H3/t18-,24-/m1/s1 | PDB
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PC sid
UniChem
Similars
| | n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant FAAH |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408841
(CHEMBL5281352)Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CCC4)C=C3c3cccc1c23 |c:21| Show InChI InChI=1S/C24H30N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-10,13,15-17,22H,4,6-7,11-12,14H2,1-3H3/t16-,22-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant FAAH |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408845
(CHEMBL5267327)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCCCC4)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C26H34N2O2/c1-17(2)28-15-20-13-24-22(21-10-7-11-23(28)25(20)21)12-18(14-27(24)3)16-30-26(29)19-8-5-4-6-9-19/h7,10-12,15,17,19,22,24H,4-6,8-9,13-14,16H2,1-3H3/t22-,24-/m1/s1 | PDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant FAAH |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408841
(CHEMBL5281352)Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CCC4)C=C3c3cccc1c23 |c:21| Show InChI InChI=1S/C24H30N2O2/c1-15(2)26-13-18-11-22-20(19-8-5-9-21(26)23(18)19)10-16(12-25(22)3)14-28-24(27)17-6-4-7-17/h5,8-10,13,15-17,22H,4,6-7,11-12,14H2,1-3H3/t16-,22-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MGL |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408844
(CHEMBL5280037)Show SMILES CN1CC(COC(=O)C2CCCCCC2)=C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |c:15| Show InChI InChI=1S/C24H30N2O2/c1-26-14-16(15-28-24(27)17-7-4-2-3-5-8-17)11-20-19-9-6-10-21-23(19)18(13-25-21)12-22(20)26/h6,9-11,13,17,20,22,25H,2-5,7-8,12,14-15H2,1H3/t20-,22-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 368 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of rat brain FAAH |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408846
(CHEMBL5270531)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C=C(COC(=O)C4CCCCCC4)CN3C)c3cccc1c23 |t:9| Show InChI InChI=1S/C27H36N2O2/c1-18(2)29-16-21-14-25-23(22-11-8-12-24(29)26(21)22)13-19(15-28(25)3)17-31-27(30)20-9-6-4-5-7-10-20/h8,11-13,16,18,20,23,25H,4-7,9-10,14-15,17H2,1-3H3/t23-,25-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 495 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human adenosine A1 receptor expressed in CHO FlpIn cells assessed as inhibition of of N(6)-(R-phenylisopropyl)adenosine-induce... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50540059
(CHEMBL4645806)Show SMILES CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C35H64N6O9/c1-4-5-6-7-8-9-10-11-12-13-14-20-29(44)37-21-16-15-18-26(38-33(47)28-19-17-22-41(28)34(48)24(2)36)31(45)39-27(23-42)32(46)40-30(25(3)43)35(49)50/h24-28,30,42-43H,4-23,36H2,1-3H3,(H,37,44)(H,38,47)(H,39,45)(H,40,46)(H,49,50)/t24-,25+,26-,27-,28-,30-/m0/s1 | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of sirtuin 6 (unknown origin) |
Eur J Med Chem 161: 48-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.028
BindingDB Entry DOI: 10.7270/Q2W380VZ |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM7459
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H | PDB
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KEGG
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Patents
Similars
| | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at histamine H3 receptor in electrically-stimulated guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB
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| PDB
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at histamine H3 receptor in electrically-stimulated guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB
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| | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at adrenergic Alpha-1B receptor in guinea pig spleen |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50135169
((-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphe...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 | PDB
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| | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at adrenergic alpha1A receptor in rat tail artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50276143
(CHEMBL4128547)Show SMILES CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C37H69N7O7S/c1-3-4-5-6-7-8-9-10-11-12-13-22-31(52)40-24-17-15-20-30(36(50)44-33(27(2)45)37(51)41-26-32(46)47)43-35(49)29(19-14-16-23-38)42-34(48)28-21-18-25-39-28/h27-30,33,39,45H,3-26,38H2,1-2H3,(H,40,52)(H,41,51)(H,42,48)(H,43,49)(H,44,50)(H,46,47)/t27-,28+,29+,30+,33+/m1/s1 | PDB
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| PC cid
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Similars
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT6 (1 to 294 residues) expressed in Escherichia coli Rosetta (DE3) using H3K9AcWW as substrate preincubated for 15 mins follow... |
Bioorg Med Chem Lett 28: 2375-2378 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.030
BindingDB Entry DOI: 10.7270/Q2GX4F1M |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50276143
(CHEMBL4128547)Show SMILES CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C37H69N7O7S/c1-3-4-5-6-7-8-9-10-11-12-13-22-31(52)40-24-17-15-20-30(36(50)44-33(27(2)45)37(51)41-26-32(46)47)43-35(49)29(19-14-16-23-38)42-34(48)28-21-18-25-39-28/h27-30,33,39,45H,3-26,38H2,1-2H3,(H,40,52)(H,41,51)(H,42,48)(H,43,49)(H,44,50)(H,46,47)/t27-,28+,29+,30+,33+/m1/s1 | PDB
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| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of sirtuin 6 (unknown origin) |
Eur J Med Chem 161: 48-77 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.028
BindingDB Entry DOI: 10.7270/Q2W380VZ |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544037
(CHEMBL1370863)Show InChI InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3 | PDB
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| n/a | n/a | 4.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50236531
((-)-gallocatechin gallate | (2R,3S)-5,7-dihydroxy-...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1 | PDB
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| | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at adrenergic Alpha-1B receptor in guinea pig spleen |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408847
(CHEMBL5281841)Show SMILES CC(C)n1cc2C[C@@H]3[C@H](C[C@@H](CO)CN3C)c3cccc1c23 Show InChI InChI=1S/C19H26N2O/c1-12(2)21-10-14-8-18-16(7-13(11-22)9-20(18)3)15-5-4-6-17(21)19(14)15/h4-6,10,12-13,16,18,22H,7-9,11H2,1-3H3/t13-,16-,18-/m1/s1 | PDB
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| | n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at adrenergic alpha1A receptor in rat tail artery |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50518647
(CHEMBL4440955)Show SMILES CCCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r| Show InChI InChI=1S/C39H72N12O7S/c1-2-3-4-5-6-7-8-9-10-13-23-45-39(59)46-24-15-12-18-30-37(58)50-28(35(40)56)17-11-14-22-43-33(54)26-47-31(52)20-21-32(53)48-27-34(55)49-29(36(57)51-30)19-16-25-44-38(41)42/h28-30H,2-27H2,1H3,(H2,40,56)(H,43,54)(H,47,52)(H,48,53)(H,49,55)(H,50,58)(H,51,57)(H4,41,42,44)(H2,45,46,59)/t28-,29-,30-/m0/s1 | PDB
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| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description
Inhibition of demyristoylation activity of recombinant human full length N-terminal His6-tagged SIRT6 expressed in Escherichia coli using H2N-EALPK-[... |
Bioorg Med Chem Lett 29: 461-465 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.023
BindingDB Entry DOI: 10.7270/Q20V8H65 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50408836
(CHEMBL5270371)Show SMILES CC(C)n1cc2C[C@H]3N(C)C[C@H](COC(=O)C4CCCCCC4)C=C3c3cccc1c23 |c:24| Show InChI InChI=1S/C27H36N2O2/c1-18(2)29-16-21-14-25-23(22-11-8-12-24(29)26(21)22)13-19(15-28(25)3)17-31-27(30)20-9-6-4-5-7-10-20/h8,11-13,16,18-20,25H,4-7,9-10,14-15,17H2,1-3H3/t19-,25-/m1/s1 | PDB
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| | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at histamine H3 receptor in electrically-stimulated guinea pig ileum |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544040
(CHEMBL4638368)Show InChI InChI=1S/C12H17N3O3/c1-13-5-7-14(8-6-13)10-3-4-11(15(16)17)12(9-10)18-2/h3-4,9H,5-8H2,1-2H3 | PDB
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| n/a | n/a | 9.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544045
(CHEMBL4636099)Show InChI InChI=1S/C13H17N3O4/c1-14-5-7-15(8-6-14)10-3-4-12(16(18)19)11(9-10)13(17)20-2/h3-4,9H,5-8H2,1-2H3 | PDB
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| n/a | n/a | 9.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544039
(CHEMBL4638821)Show InChI InChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)9-2-3-10(14(16)17)11(15)8-9/h2-3,8,15H,4-7H2,1H3 | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50518648
(CHEMBL4438364)Show SMILES CCCCCCCCCCCCNC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r| Show InChI InChI=1S/C40H73N11O8/c1-2-3-4-5-6-7-8-9-10-15-24-44-32(52)21-13-11-12-19-31-39(59)50-29(37(41)57)18-14-16-25-45-35(55)27-47-33(53)22-23-34(54)48-28-36(56)49-30(38(58)51-31)20-17-26-46-40(42)43/h29-31H,2-28H2,1H3,(H2,41,57)(H,44,52)(H,45,55)(H,47,53)(H,48,54)(H,49,56)(H,50,59)(H,51,58)(H4,42,43,46)/t29-,30-,31-/m0/s1 | PDB
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| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description
Inhibition of demyristoylation activity of recombinant human full length N-terminal His6-tagged SIRT6 expressed in Escherichia coli using H2N-EALPK-[... |
Bioorg Med Chem Lett 29: 461-465 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.023
BindingDB Entry DOI: 10.7270/Q20V8H65 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544041
(CHEMBL4642889)Show SMILES CN1CCN(CC1)c1ccc(c(NC(=O)c2cc(Cl)nc3ccccc23)c1)[N+]([O-])=O Show InChI InChI=1S/C21H20ClN5O3/c1-25-8-10-26(11-9-25)14-6-7-19(27(29)30)18(12-14)24-21(28)16-13-20(22)23-17-5-3-2-4-15(16)17/h2-7,12-13H,8-11H2,1H3,(H,24,28) | PDB
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| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544038
(CHEMBL249033 | US11459308, Compound 3514)Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccccc2)c1)[N+]([O-])=O Show InChI InChI=1S/C18H22N4O2/c1-20-9-11-21(12-10-20)16-7-8-18(22(23)24)17(13-16)19-14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3 | PDB
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| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544042
(CHEMBL4637552)Show SMILES CN1CCN(CC1)c1ccc(c(c1)C(=O)Nc1cccc2ccccc12)[N+]([O-])=O Show InChI InChI=1S/C22H22N4O3/c1-24-11-13-25(14-12-24)17-9-10-21(26(28)29)19(15-17)22(27)23-20-8-4-6-16-5-2-3-7-18(16)20/h2-10,15H,11-14H2,1H3,(H,23,27) | PDB
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| n/a | n/a | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544044
(CHEMBL4641736)Show SMILES CN1CCN(CC1)c1ccc(c(c1)C(=O)NCc1ccccc1)[N+]([O-])=O Show InChI InChI=1S/C19H22N4O3/c1-21-9-11-22(12-10-21)16-7-8-18(23(25)26)17(13-16)19(24)20-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24) | PDB
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| n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50276139
(CHEMBL4128509)Show SMILES CCCCCCCCCCCCCNC(=O)CCCSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C61H114N18O17S/c1-5-6-7-8-9-10-11-12-13-14-19-30-68-47(84)25-21-32-97-36-45(57(92)76-44(35-80)56(91)78-50(38(3)81)58(93)71-33-48(85)70-34-49(86)73-43(60(95)96)23-16-18-29-63)77-54(89)41(24-20-31-69-61(66)67)74-52(87)37(2)72-59(94)51(39(4)82)79-55(90)42(26-27-46(65)83)75-53(88)40(64)22-15-17-28-62/h37-45,50-51,80-82H,5-36,62-64H2,1-4H3,(H2,65,83)(H,68,84)(H,70,85)(H,71,93)(H,72,94)(H,73,86)(H,74,87)(H,75,88)(H,76,92)(H,77,89)(H,78,91)(H,79,90)(H,95,96)(H4,66,67,69)/t37-,38+,39+,40-,41-,42-,43-,44-,45-,50-,51-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT6 (1 to 294 residues) expressed in Escherichia coli Rosetta (DE3) using H3K9AcWW as substrate preincubated for 15 mins follow... |
Bioorg Med Chem Lett 28: 2375-2378 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.030
BindingDB Entry DOI: 10.7270/Q2GX4F1M |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50451276
(CHEMBL4217987)Show SMILES OC(=O)c1cc(O)ccc1NC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C22H14N2O6/c25-14-9-10-18(17(11-14)22(29)30)23-19(26)12-5-7-13(8-6-12)24-20(27)15-3-1-2-4-16(15)21(24)28/h1-11,25H,(H,23,26)(H,29,30) | PDB
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Genoa
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT6 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat... |
Bioorg Med Chem 25: 5849-5858 (2017)
Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50276145
(CHEMBL4128630)Show InChI InChI=1S/C8H16N2O3/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H2,10,11)(H,12,13)/t6-/m0/s1 | PDB
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| n/a | n/a | 2.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT6 (1 to 294 residues) expressed in Escherichia coli Rosetta (DE3) using H3K9AcWW as substrate preincubated for 15 mins follow... |
Bioorg Med Chem Lett 28: 2375-2378 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.030
BindingDB Entry DOI: 10.7270/Q2GX4F1M |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544043
(CHEMBL4640570)Show SMILES CN1CCN(CC1)c1ccc(c(c1)C(=O)Nc1ccc(Oc2ccccc2)cc1)[N+]([O-])=O Show InChI InChI=1S/C24H24N4O4/c1-26-13-15-27(16-14-26)19-9-12-23(28(30)31)22(17-19)24(29)25-18-7-10-21(11-8-18)32-20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3,(H,25,29) | PDB
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| n/a | n/a | 2.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50544036
(CHEMBL4634194)Show SMILES CN1CCN(CC1)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C12H14F3N3O2/c1-16-4-6-17(7-5-16)9-2-3-11(18(19)20)10(8-9)12(13,14)15/h2-3,8H,4-7H2,1H3 | PDB
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PubMed
| n/a | n/a | 2.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50473422
(CHEMBL340881)Show InChI InChI=1S/C11H15N3O2/c1-12-6-8-13(9-7-12)10-2-4-11(5-3-10)14(15)16/h2-5H,6-9H2,1H3 | PDB
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 2.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50451275
(CHEMBL4205716)Show SMILES OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1O Show InChI InChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26) | PDB
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UniChem
| | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human adenosine A1 receptor expressed in CHO FlpIn cells assessed as inhibition of of N(6)-(R-phenylisopropyl)adenosine-induce... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50451275
(CHEMBL4205716)Show SMILES OC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1O Show InChI InChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26) | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Genoa
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT6 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat... |
Bioorg Med Chem 25: 5849-5858 (2017)
Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM228816
(5-Cl-PZA)Show InChI InChI=1S/C5H4ClN3O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,7,10) | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University at Albany
| Assay Description
Inhibitory constants (Ki) and IC50 values were determined under saturating substrate conditions by using a fluorimetric assay (components were purcha... |
Chembiochem 18: 931-940 (2017)
Article DOI: 10.1002/cbic.201600655
BindingDB Entry DOI: 10.7270/Q2CJ8CC2 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM228816
(5-Cl-PZA)Show InChI InChI=1S/C5H4ClN3O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,7,10) | PDB
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| | n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at oxytocin receptor in rat uterine strips assessed as inhibition of oxytocin-induced contraction |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM228816
(5-Cl-PZA)Show InChI InChI=1S/C5H4ClN3O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,7,10) | PDB
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PubMed
| n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged human SIRT6 expressed in Escherichia coli BL21(DE3) using Ac-p53 as substrate by fluorescence-based coupled-enzyme assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM228816
(5-Cl-PZA)Show InChI InChI=1S/C5H4ClN3O/c6-4-2-8-3(1-9-4)5(7)10/h1-2H,(H2,7,10) | PDB
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| | n/a | n/a | 3.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant MGL |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50451274
(CHEMBL4206619)Show SMILES OC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1O Show InChI InChI=1S/C19H14N2O6/c22-15-8-7-13(10-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26) | PDB
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UniChem
| | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity at human adenosine A1 receptor expressed in CHO FlpIn cells assessed as inhibition of of N(6)-(R-phenylisopropyl)adenosine-induce... |
Citation and Details
|
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50451274
(CHEMBL4206619)Show SMILES OC(=O)c1cc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)ccc1O Show InChI InChI=1S/C19H14N2O6/c22-15-8-7-13(10-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26) | PDB
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PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Genoa
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT6 assessed as reduction in NAD+-dependent deacetylase activity using Arg-His-Lys-Lys(epsilon-acetyl)-AMC substrat... |
Bioorg Med Chem 25: 5849-5858 (2017)
Article DOI: 10.1016/j.bmc.2017.09.023
BindingDB Entry DOI: 10.7270/Q26Q20T7 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50001908
(1-(4-Nitro-phenyl)-piperazine | CHEMBL165012)Show InChI InChI=1S/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2 | PDB
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| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description
Inhibition of SIRT6 (unknown origin) using Ac-RYQK(Ac)-AMC as substrate by Fluor de Lys assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.127215
BindingDB Entry DOI: 10.7270/Q2VT1WN9 |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50123364
(CHEMBL3622696)Show SMILES O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1cccc(CCc2ccncc2)c1 Show InChI InChI=1S/C21H18N4O4S/c26-20-18-13-17(6-7-19(18)23-21(27)24-20)30(28,29)25-16-3-1-2-15(12-16)5-4-14-8-10-22-11-9-14/h1-3,6-13,25H,4-5H2,(H2,23,24,26,27) | PDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Genoa
Curated by ChEMBL
| Assay Description
Inhibition of human SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by fluorescence assay |
Eur J Med Chem 102: 530-9 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.024
BindingDB Entry DOI: 10.7270/Q2K35WGV |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-6
(Homo sapiens (Human)) | BDBM50123399
(CHEMBL3623254)Show SMILES Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 Show InChI InChI=1S/C22H20N4O4S/c1-25-20-8-7-18(14-19(20)21(27)26(2)22(25)28)31(29,30)24-17-5-3-15(4-6-17)13-16-9-11-23-12-10-16/h3-12,14,24H,13H2,1-2H3 | PDB
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PC cid
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PubMed
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Genoa
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant SIRT6 deacetylase activity using Arg-His-Lys-Lys(AC)-AMC as a substrate by luminescence assay |
Eur J Med Chem 102: 530-9 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.024
BindingDB Entry DOI: 10.7270/Q2K35WGV |
More data for this
Ligand-Target Pair | |
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