Found 1069 hits of ic50 for UniProtKB: Q96EB6 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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-tagged human SIRT1 using 0.3 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC anal... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human N-terminal His-tagged SIRT1 (183 to 664 residues) expressed in Escherichia coli using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate pre... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112201 BindingDB Entry DOI: 10.7270/Q26D5XMR |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) demyristoylase activity expressed in Escherichia coli using p5... |
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-1
(Homo sapiens (Human)) | BDBM50179360
(CHEMBL3040216)Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human N-terminal His-tagged SIRT1 (183 to 664 residues) expressed in Escherichia coli using Ac-Arg-Leu-Ile-Lys(Ac)-AMC as substrate pre... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112201 BindingDB Entry DOI: 10.7270/Q26D5XMR |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(Homo sapiens (Human)) | BDBM50179360
(CHEMBL3040216)Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human N-terminal His-tagged SIRT1 (183 to 664 residues) expressed in Escherichia coli using Ac-Tyr-Lys-Leu-Lys(Ac)-AMC as substrate pre... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112201 BindingDB Entry DOI: 10.7270/Q26D5XMR |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-tagged human SIRT1 using 0.3 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC anal... |
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-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-tagged SIRT1 expressed in 293T cells by Fluor de Lys fluorescence assay |
Bioorg Med Chem 19: 3616-24 (2011)
Article DOI: 10.1016/j.bmc.2011.01.018 BindingDB Entry DOI: 10.7270/Q2251JJ4 |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-tagged human SIRT1 using 0.3 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC anal... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(Homo sapiens (Human)) | BDBM50152093
(CHEMBL3779989)Show SMILES [H][C@]1(NC(=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)[C@@H](C)CC |r| Show InChI InChI=1S/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-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of SIRT1 (unknown origin) |
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-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of His6-tagged SIRT1 (unknown origin) expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins followed by NAD+ addition and meas... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00017 BindingDB Entry DOI: 10.7270/Q2MK6HQZ |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) defatty-acylase activity expressed in Escherichia coli using S... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) demyristoylase activity expressed in Escherichia coli using p5... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-tagged human SIRT1 using 0.3 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC anal... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(Homo sapiens (Human)) | BDBM50178775
((S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]in...)Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Elixir Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay |
J Med Chem 48: 8045-54 (2005)
Article DOI: 10.1021/jm050522v BindingDB Entry DOI: 10.7270/Q27D2TPK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
NAD-dependent protein deacetylase sirtuin-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-tagged human SIRT1 using 0.3 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC anal... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) demyristoylase activity expressed in Escherichia coli using p5... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Jiangsu University
Curated by ChEMBL
| Assay Description Inhibition of recombinant GST-tagged human SIRT1 using 0.3 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC anal... |
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-1
(Homo sapiens (Human)) | BDBM50502281
(CHEMBL4529328)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C34H50N10O5/c1-4-22(2)30(40-23(3)45)33(49)42-28(32(48)41-27(31(35)47)14-10-20-39-34(36)37)13-8-9-19-38-29(46)21-24-15-17-26(18-16-24)44-43-25-11-6-5-7-12-25/h5-7,11-12,15-18,22,27-28,30H,4,8-10,13-14,19-21H2,1-3H3,(H2,35,47)(H,38,46)(H,40,45)(H,41,48)(H,42,49)(H4,36,37,39)/b44-43+/t22-,27-,28-,30-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) demyristoylase activity expressed in Escherichia coli using p5... |
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-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human SIRT1 deacetylase activity using acetylated H3K9 as substrate preincubated for 15 mins followed by substrate addition and measure... |
J Med Chem 62: 4131-4141 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00191 BindingDB Entry DOI: 10.7270/Q21C21BC |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50193080
(CHEMBL3951539)Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Nc1cc(NC(=O)Nc2cccc(c2)C(=O)Nc2cccc(c2)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O Show InChI InChI=1S/C49H37N7O23S6.6Na/c50-28-14-27(48(60)52-30-8-2-6-26(16-30)47(59)56-38-11-13-40(83(71,72)73)36-21-34(81(65,66)67)23-42(44(36)38)85(77,78)79)18-32(19-28)54-49(61)53-31-9-3-4-24(17-31)45(57)51-29-7-1-5-25(15-29)46(58)55-37-10-12-39(82(68,69)70)35-20-33(80(62,63)64)22-41(43(35)37)84(74,75)76;;;;;;/h1-23H,50H2,(H,51,57)(H,52,60)(H,55,58)(H,56,59)(H2,53,54,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;/q;6*+1/p-6 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Jambheshwar University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of full-length human N-terminal GST-tagged SIRT1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of deacetylase activity u... |
Eur J Med Chem 119: 45-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50540060
(CHEMBL4632578)Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1cc(cc(c1)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O)-[#6](=O)-[#7]-c1cccc(c1)-[#6](=O)-[#7]-c1ccc(c2cc(cc(c12)S([#8-])(=O)=O)S([#8-])(=O)=O)S([#8-])(=O)=O Show InChI InChI=1S/C42H31N5O22S6/c43-24-12-22(41(50)44-25-5-1-3-20(14-25)39(48)46-31-7-9-33(72(58,59)60)29-16-27(70(52,53)54)18-35(37(29)31)74(64,65)66)11-23(13-24)42(51)45-26-6-2-4-21(15-26)40(49)47-32-8-10-34(73(61,62)63)30-17-28(71(55,56)57)19-36(38(30)32)75(67,68)69/h1-19H,43H2,(H,44,50)(H,45,51)(H,46,48)(H,47,49)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)/p-6 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of sirtuin 1 (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 deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50346543
(CHEMBL1797750)Show InChI InChI=1S/C21H19NO/c1-13-3-6-15(7-4-13)18-12-20(23)22-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3,(H,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Ernst-Moritz-Arndt-University Greifswald
Curated by ChEMBL
| Assay Description Inhibition of SIRT1 |
Bioorg Med Chem 19: 3669-77 (2011)
Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50425824
(CHEMBL2312289)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Biotechnology Center San Diego
Curated by ChEMBL
| Assay Description Inhibition of full length SIRT1 (unknown origin) by fluorometric enzyme assay |
J Med Chem 56: 963-9 (2013)
Article DOI: 10.1021/jm301431y BindingDB Entry DOI: 10.7270/Q2B56M22 |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Elixir Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay |
J Med Chem 48: 8045-54 (2005)
Article DOI: 10.1021/jm050522v BindingDB Entry DOI: 10.7270/Q27D2TPK |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50531285
(CHEMBL4581121)Show InChI InChI=1S/C13H15ClN2O/c14-8-2-4-11-10(6-8)9-3-1-7(13(15)17)5-12(9)16-11/h2,4,6-7,9,12,16H,1,3,5H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of SIRT1 (unknown origin) |
Eur J Med Chem 187: (2020)
Article DOI: 10.1016/j.ejmech.2019.111926 BindingDB Entry DOI: 10.7270/Q21R6V04 |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris, A GSK Company
Curated by ChEMBL
| Assay Description Inhibition of SIRT1 |
J Med Chem 54: 417-32 (2011)
Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28 |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Elixir Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay |
J Med Chem 48: 8045-54 (2005)
Article DOI: 10.1021/jm050522v BindingDB Entry DOI: 10.7270/Q27D2TPK |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Nagoya City University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His6-tagged SIRT1 (Met1 to Ser747 residues) demyristoylase activity expressed in Escherichia coli using p5... |
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-1
(Homo sapiens (Human)) | BDBM50531285
(CHEMBL4581121)Show InChI InChI=1S/C13H15ClN2O/c14-8-2-4-11-10(6-8)9-3-1-7(13(15)17)5-12(9)16-11/h2,4,6-7,9,12,16H,1,3,5H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of SIRT1 (unknown origin) |
Eur J Med Chem 187: (2020)
Article DOI: 10.1016/j.ejmech.2019.111926 BindingDB Entry DOI: 10.7270/Q21R6V04 |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu... |
J Med Chem 60: 4714-4733 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay |
ACS Med Chem Lett 3: 1050-1053 (2012)
Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50178769
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
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| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris, A GSK Company
Curated by ChEMBL
| Assay Description Inhibition of SIRT1 using Ac-His-Arg-Lys-Lys(Ac)-AMC as substrate |
J Med Chem 54: 417-32 (2011)
Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28 |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50552995
(CHEMBL4787472)Show SMILES CCC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)N1c2ccccc2Sc2ccccc12 | PDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of His-tagged SIRT1 (unknown origin) expressed in Escherichia coli codon plus (DE3) using acetylated p53 as substrate |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00559 BindingDB Entry DOI: 10.7270/Q2VQ3698 |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(Homo sapiens (Human)) | BDBM50193045
(CHEMBL3986181)Show InChI InChI=1S/C11H15N5O2/c1-4-5-6-7-12-8-9(16(3)14-7)13-11(18)15(2)10(8)17/h4-6H2,1-3H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Guru Jambheshwar University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of human SIRT1 using biotinylated peptide with an acetylated FLAG sequence as substrate measured after 3 hr in presence of NAD+ by TR-FRET... |
Eur J Med Chem 119: 45-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.063 BindingDB Entry DOI: 10.7270/Q2VH5QTW |
More data for this Ligand-Target Pair | |
NAD-dependent protein deacetylase sirtuin-1
(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
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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-1
(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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Sirtris a GSK Company
Curated by ChEMBL
| Assay Description Inhibition of His-tagged SIRT1 (1 to 747) (unknown origin)-mediated deacetylation of Ac-RHKKAcW-NH2 substrate preincubated for 20 mins measured after... |
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 | |