BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1081 hits of affinity data for UniProtKB/TrEMBL: Q96EB6   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50552984
PNG
(CHEMBL1410976)
Show SMILES COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Br)c1O
Show InChI InChI=1S/C18H13BrO6/c1-23-14-9-10(8-13(19)15(14)20)7-12-16(21)24-18(25-17(12)22)11-5-3-2-4-6-11/h2-9,18,20H,1H3/b12-7-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
100n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type N-terminal hexa-His-tagged human SIRT1 (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociatio...


ACS Med Chem Lett 12: 397-403 (2021)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50044816
PNG
(CHEMBL1576457)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
Show InChI InChI=1S/C12H7N5OS/c1-2-6-13-8(4-1)11-16-17-10(9-5-3-7-18-9)14-15-12(17)19-11/h1-7H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
600n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged recombinant human SIRT1 expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate asse...


Bioorg Med Chem Lett 24: 3050-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.028
BindingDB Entry DOI: 10.7270/Q2MW2JSV
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50552984
PNG
(CHEMBL1410976)
Show SMILES COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Br)c1O
Show InChI InChI=1S/C18H13BrO6/c1-23-14-9-10(8-13(19)15(14)20)7-12-16(21)24-18(25-17(12)22)11-5-3-2-4-6-11/h2-9,18,20H,1H3/b12-7-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
650n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His-tagged human SIRT1 F273L mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissocia...


ACS Med Chem Lett 12: 397-403 (2021)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50552984
PNG
(CHEMBL1410976)
Show SMILES COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Br)c1O
Show InChI InChI=1S/C18H13BrO6/c1-23-14-9-10(8-13(19)15(14)20)7-12-16(21)24-18(25-17(12)22)11-5-3-2-4-6-11/h2-9,18,20H,1H3/b12-7-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
710n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His-tagged human SIRT1 I347A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissocia...


ACS Med Chem Lett 12: 397-403 (2021)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50425971
PNG
(CHEMBL2314710)
Show SMILES Oc1ccc(O)c(c1)C(=O)c1coc2ccc(O)cc12
Show InChI InChI=1S/C15H10O5/c16-8-1-3-13(18)11(6-8)15(19)12-7-20-14-4-2-9(17)5-10(12)14/h1-7,16-18H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
800n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using NAD+ as ...


Eur J Med Chem 60: 441-50 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.026
BindingDB Entry DOI: 10.7270/Q2WW7K0B
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50552984
PNG
(CHEMBL1410976)
Show SMILES COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Br)c1O
Show InChI InChI=1S/C18H13BrO6/c1-23-14-9-10(8-13(19)15(14)20)7-12-16(21)24-18(25-17(12)22)11-5-3-2-4-6-11/h2-9,18,20H,1H3/b12-7-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
1.94E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His-tagged human SIRT1 N346A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissocia...


ACS Med Chem Lett 12: 397-403 (2021)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50105327
PNG
(JNJ-26481585 | QUISINOSTAT | Quisinostat)
Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorogenic HDAC substrate after 20 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.029
BindingDB Entry DOI: 10.7270/Q2M0484T
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50463739
PNG
(CHEMBL4237803)
Show SMILES COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1
Show InChI InChI=1S/C17H21N3O5/c1-25-12-8-6-11(7-9-12)19-15-14(16(22)17(15)23)18-10-4-2-3-5-13(21)20-24/h6-9,18-19,24H,2-5,10H2,1H3,(H,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorogenic HDAC substrate after 20 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.029
BindingDB Entry DOI: 10.7270/Q2M0484T
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorogenic HDAC substrate after 20 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.029
BindingDB Entry DOI: 10.7270/Q2M0484T
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50463743
PNG
(CHEMBL4241370)
Show SMILES CC(C)(CCCCC(=O)NO)Nc1c(Nc2ccc(cc2)C(F)(F)F)c(=O)c1=O
Show InChI InChI=1S/C19H22F3N3O4/c1-18(2,10-4-3-5-13(26)25-29)24-15-14(16(27)17(15)28)23-12-8-6-11(7-9-12)19(20,21)22/h6-9,23-24,29H,3-5,10H2,1-2H3,(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorogenic HDAC substrate after 20 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.029
BindingDB Entry DOI: 10.7270/Q2M0484T
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50463738
PNG
(CHEMBL4244764)
Show SMILES CC(Nc1c(NCCCCCC(=O)NO)c(=O)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H33N3O4/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)24-19-18(20(27)21(19)28)23-6-4-2-3-5-17(26)25-29/h13-16,23-24,29H,2-12H2,1H3,(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 using fluorogenic HDAC substrate after 20 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.029
BindingDB Entry DOI: 10.7270/Q2M0484T
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50552984
PNG
(CHEMBL1410976)
Show SMILES COc1cc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc(Br)c1O
Show InChI InChI=1S/C18H13BrO6/c1-23-14-9-10(8-13(19)15(14)20)7-12-16(21)24-18(25-17(12)22)11-5-3-2-4-6-11/h2-9,18,20H,1H3/b12-7-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PubMed
1.82E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-His-tagged human SIRT1 F414A mutant (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissocia...


ACS Med Chem Lett 12: 397-403 (2021)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50044816
PNG
(CHEMBL1576457)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
Show InChI InChI=1S/C12H7N5OS/c1-2-6-13-8(4-1)11-16-17-10(9-5-3-7-18-9)14-15-12(17)19-11/h1-7H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.41E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 F414A mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibit...


Bioorg Med Chem Lett 24: 3050-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.028
BindingDB Entry DOI: 10.7270/Q2MW2JSV
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50044816
PNG
(CHEMBL1576457)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
Show InChI InChI=1S/C12H7N5OS/c1-2-6-13-8(4-1)11-16-17-10(9-5-3-7-18-9)14-15-12(17)19-11/h1-7H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.91E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 I347A mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibit...


Bioorg Med Chem Lett 24: 3050-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.028
BindingDB Entry DOI: 10.7270/Q2MW2JSV
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50044816
PNG
(CHEMBL1576457)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
Show InChI InChI=1S/C12H7N5OS/c1-2-6-13-8(4-1)11-16-17-10(9-5-3-7-18-9)14-15-12(17)19-11/h1-7H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.89E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human SIRT1 F273L mutant expressed in Escherichia coli BL21(DE3) using AMC-labeled Arg-His-Lys-Lys(ac) as substrate assessed as inhibit...


Bioorg Med Chem Lett 24: 3050-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.028
BindingDB Entry DOI: 10.7270/Q2MW2JSV
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SIRT1 expressed in Escherichia coli BL21(DE3) cells using Ac-RHK-K(Ac)-AMC as substrate preincubated for 10 mins foll...


J Med Chem 59: 2928-41 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01376
BindingDB Entry DOI: 10.7270/Q2Z89F9W
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50531286
PNG
(CHEMBL4568936)
Show SMILES Clc1ccc2sc3C(N4C(=O)CSC4=Nc3c2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H13ClN2OS2/c23-15-7-8-17-16(10-15)19-21(28-17)20(25-18(26)11-27-22(25)24-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,20H,11H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using fluorogenic substrate assessed as deacetylase activity incubated for 45 mins by fluorescence assay


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111926
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50531286
PNG
(CHEMBL4568936)
Show SMILES Clc1ccc2sc3C(N4C(=O)CSC4=Nc3c2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H13ClN2OS2/c23-15-7-8-17-16(10-15)19-21(28-17)20(25-18(26)11-27-22(25)24-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,20H,11H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using fluorogenic substrate assessed as deacetylase activity incubated for 45 mins by fluorescence assay


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111926
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50152067
PNG
(CHEMBL3781397)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/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
PNG
(CHEMBL2332039)
Show SMILES CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C22H26N6O3S2/c1-2-24-21(30)15-3-4-16(32-15)22(31)25-8-5-13-6-9-28(10-7-13)20-18-14(26-12-27-20)11-17(33-18)19(23)29/h3-4,11-13H,2,5-10H2,1H3,(H2,23,29)(H,24,30)(H,25,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/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
PNG
(CHEMBL2338810)
Show SMILES CS(=O)(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C15H21N5O3S2/c1-25(22,23)19-5-2-10-3-6-20(7-4-10)15-13-11(17-9-18-15)8-12(24-13)14(16)21/h8-10,19H,2-7H2,1H3,(H2,16,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 4.30n/an/an/an/an/an/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
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-1


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/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
PNG
(CHEMBL2332043)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
Show InChI InChI=1S/C19H21N5O2S2/c20-17(25)15-10-13-16(28-15)18(23-11-22-13)24-7-4-12(5-8-24)3-6-21-19(26)14-2-1-9-27-14/h1-2,9-12H,3-8H2,(H2,20,25)(H,21,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/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
PNG
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Xihua University

Curated by ChEMBL


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...


Eur J Med Chem 192: (2020)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70n/an/an/an/an/an/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
PNG
(CHEMBL2332042)
Show SMILES NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4ccc(s4)C(O)=O)CC3)c2s1
Show InChI InChI=1S/C20H21N5O4S2/c21-17(26)15-9-12-16(31-15)18(24-10-23-12)25-7-4-11(5-8-25)3-6-22-19(27)13-1-2-14(30-13)20(28)29/h1-2,9-11H,3-8H2,(H2,21,26)(H,22,27)(H,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/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
PNG
(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
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50179360
PNG
(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
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 27n/an/an/an/an/an/a



Xihua University

Curated by ChEMBL


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...


Eur J Med Chem 192: (2020)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/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
PNG
(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
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 35n/an/an/an/an/an/a



Xihua University

Curated by ChEMBL


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...


Eur J Med Chem 192: (2020)

More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50152081
PNG
(CHEMBL3781129)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/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
PNG
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/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
PNG
(CHEMBL3781226)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/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
PNG
(CHEMBL2338808)
Show SMILES CC(C)(C)C(=O)NCCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C20H29N5O2S/c1-20(2,3)19(27)22-8-4-5-13-6-9-25(10-7-13)18-16-14(23-12-24-18)11-15(28-16)17(21)26/h11-13H,4-10H2,1-3H3,(H2,21,26)(H,22,27)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/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
PNG
(CHEMBL3779989)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC1=O)C(N)=O
Show InChI InChI=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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/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))
BDBM50502268
PNG
(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
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50502269
PNG
(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
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 53n/an/an/an/an/an/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
PNG
(CHEMBL2332052)
Show SMILES CC(=S)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C16H21N5OS2/c1-10(23)18-5-2-11-3-6-21(7-4-11)16-14-12(19-9-20-16)8-13(24-14)15(17)22/h8-9,11H,2-7H2,1H3,(H2,17,22)(H,18,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/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
PNG
(CHEMBL3780405)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57n/an/an/an/an/an/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
PNG
(CHEMBL2338816)
Show SMILES CC(C)(C)C(=O)NCCC1CCN(CC1)c1ccnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C20H28N4O2S/c1-20(2,3)19(26)23-8-4-13-6-10-24(11-7-13)15-5-9-22-14-12-16(18(21)25)27-17(14)15/h5,9,12-13H,4,6-8,10-11H2,1-3H3,(H2,21,25)(H,23,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/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
PNG
((S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]in...)
Show SMILES NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 63n/an/an/an/an/an/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
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50152072
PNG
(CHEMBL3780552)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O
Show InChI InChI=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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 64n/an/an/an/an/an/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
PNG
(CHEMBL2332038)
Show SMILES CCNC(=O)c1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Show InChI InChI=1S/C23H27N7O3S/c1-2-25-22(32)15-4-3-5-16(12-15)23(33)26-6-7-29-8-10-30(11-9-29)21-19-17(27-14-28-21)13-18(34-19)20(24)31/h3-5,12-14H,2,6-11H2,1H3,(H2,24,31)(H,25,32)(H,26,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/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
PNG
(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
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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 71n/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1081 total )  |  Next  |  Last  >>
Jump to: