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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'xu' and Initial = 'mh'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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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))
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
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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))
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
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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
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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
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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))
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
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n/an/a 2.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-...


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))
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
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n/an/a 3.50E+3n/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))
BDBM50044809
PNG
(CHEMBL3311075)
Show SMILES COc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1OC
Show InChI InChI=1S/C16H14N4O3S/c1-21-11-6-5-10(8-13(11)22-2)9-14-19-20-15(12-4-3-7-23-12)17-18-16(20)24-14/h3-8H,9H2,1-2H3
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n/an/a 4.10E+3n/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))
BDBM50044795
PNG
(CHEMBL3310820)
Show SMILES Cc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C14H10N4OS/c1-9-4-2-5-10(8-9)13-17-18-12(11-6-3-7-19-11)15-16-14(18)20-13/h2-8H,1H3
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n/an/a 7.50E+3n/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))
BDBM50044814
PNG
(CHEMBL3311070)
Show SMILES C1Oc2ccccc2OC1c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H10N4O3S/c1-2-5-10-9(4-1)21-8-12(22-10)14-18-19-13(11-6-3-7-20-11)16-17-15(19)23-14/h1-7,12H,8H2
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n/an/a 8.90E+3n/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))
BDBM50044820
PNG
(CHEMBL3311174)
Show SMILES C(Cc1nn2c(nnc2s1)-c1ccco1)Cc1ccccc1
Show InChI InChI=1S/C16H14N4OS/c1-2-6-12(7-3-1)8-4-10-14-19-20-15(13-9-5-11-21-13)17-18-16(20)22-14/h1-3,5-7,9,11H,4,8,10H2
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n/an/a 1.22E+4n/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))
BDBM50044821
PNG
(CHEMBL3311173)
Show SMILES CCOc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C16H14N4O3S/c1-2-21-11-6-3-4-7-12(11)23-10-14-19-20-15(13-8-5-9-22-13)17-18-16(20)24-14/h3-9H,2,10H2,1H3
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n/an/a 1.37E+4n/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))
BDBM50044801
PNG
(CHEMBL3311081)
Show SMILES Cc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O2S/c1-10-5-2-3-6-11(10)21-9-13-18-19-14(12-7-4-8-20-12)16-17-15(19)22-13/h2-8H,9H2,1H3
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n/an/a 1.87E+4n/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))
BDBM50044787
PNG
(CHEMBL3311066)
Show SMILES C=CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C16H12N4O2S/c1-2-8-21-12-6-3-5-11(10-12)15-19-20-14(13-7-4-9-22-13)17-18-16(20)23-15/h2-7,9-10H,1,8H2
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n/an/a 1.88E+4n/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))
BDBM54959
PNG
(3-(2-furyl)-6-m-phenetyl-[1,2,4]triazolo[3,4-b][1,...)
Show SMILES CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O2S/c1-2-20-11-6-3-5-10(9-11)14-18-19-13(12-7-4-8-21-12)16-17-15(19)22-14/h3-9H,2H2,1H3
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n/an/a 1.90E+4n/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))
BDBM50044793
PNG
(CHEMBL1339743)
Show SMILES COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C14H10N4O2S/c1-19-10-5-2-4-9(8-10)13-17-18-12(11-6-3-7-20-11)15-16-14(18)21-13/h2-8H,1H3
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n/an/a 2.03E+4n/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))
BDBM50044786
PNG
(CHEMBL3311067)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1cc2ccccc2o1
Show InChI InChI=1S/C15H8N4O2S/c1-2-5-10-9(4-1)8-12(21-10)14-18-19-13(11-6-3-7-20-11)16-17-15(19)22-14/h1-8H
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n/an/a 2.06E+4n/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))
BDBM40580
PNG
(3,6-Di-furan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thi...)
Show SMILES c1coc(c1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C11H6N4O2S/c1-3-7(16-5-1)9-12-13-11-15(9)14-10(18-11)8-4-2-6-17-8/h1-6H
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n/an/a 2.20E+4n/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))
BDBM50044790
PNG
(CHEMBL3311063)
Show SMILES CCOc1ccccc1-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O2S/c1-2-20-11-7-4-3-6-10(11)14-18-19-13(12-8-5-9-21-12)16-17-15(19)22-14/h3-9H,2H2,1H3
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n/an/a 2.36E+4n/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))
BDBM38321
PNG
(6-(3,4-dimethoxyphenyl)-3-(2-furanyl)-[1,2,4]triaz...)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O3S/c1-20-10-6-5-9(8-12(10)21-2)14-18-19-13(11-4-3-7-22-11)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a 2.48E+4n/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))
BDBM50044796
PNG
(CHEMBL3310819)
Show SMILES Cc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C14H10N4OS/c1-9-4-6-10(7-5-9)13-17-18-12(11-3-2-8-19-11)15-16-14(18)20-13/h2-8H,1H3
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n/an/a 2.74E+4n/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))
BDBM50044819
PNG
(CHEMBL3310815)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccccc1
Show InChI InChI=1S/C13H8N4OS/c1-2-5-9(6-3-1)12-16-17-11(10-7-4-8-18-10)14-15-13(17)19-12/h1-8H
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n/an/a 2.76E+4n/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))
BDBM50044800
PNG
(CHEMBL3311082)
Show SMILES Cc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1C
Show InChI InChI=1S/C16H14N4O2S/c1-10-5-6-12(8-11(10)2)22-9-14-19-20-15(13-4-3-7-21-13)17-18-16(20)23-14/h3-8H,9H2,1-2H3
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n/an/a 2.87E+4n/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))
BDBM50044803
PNG
(CHEMBL1455931)
Show SMILES Cc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1
Show InChI InChI=1S/C15H12N4O2S/c1-10-4-6-11(7-5-10)21-9-13-18-19-14(12-3-2-8-20-12)16-17-15(19)22-13/h2-8H,9H2,1H3
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n/an/a 2.93E+4n/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))
BDBM50044788
PNG
(CHEMBL3311065)
Show SMILES C=CCOc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C16H12N4O2S/c1-2-9-21-12-7-5-11(6-8-12)15-19-20-14(13-4-3-10-22-13)17-18-16(20)23-15/h2-8,10H,1,9H2
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n/an/a 2.95E+4n/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))
BDBM50425974
PNG
(CHEMBL2314699)
Show SMILES Oc1cccc(c1)C(=O)c1coc2ccc(O)cc12
Show InChI InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)15(18)13-8-19-14-5-4-11(17)7-12(13)14/h1-8,16-17H
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n/an/a 3.12E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-...


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))
BDBM50044791
PNG
(CHEMBL3311062)
Show SMILES CCOc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O2S/c1-2-20-11-7-5-10(6-8-11)14-18-19-13(12-4-3-9-21-12)16-17-15(19)22-14/h3-9H,2H2,1H3
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n/an/a 3.13E+4n/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))
BDBM50044792
PNG
(CHEMBL1869344)
Show SMILES COc1cc(cc(OC)c1OC)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C16H14N4O4S/c1-21-11-7-9(8-12(22-2)13(11)23-3)15-19-20-14(10-5-4-6-24-10)17-18-16(20)25-15/h4-8H,1-3H3
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n/an/a 3.56E+4n/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))
BDBM50044813
PNG
(CHEMBL3311071)
Show SMILES C(c1nn2c(nnc2s1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C14H10N4OS/c1-2-5-10(6-3-1)9-12-17-18-13(11-7-4-8-19-11)15-16-14(18)20-12/h1-8H,9H2
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n/an/a 3.79E+4n/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))
BDBM50044815
PNG
(CHEMBL3311069)
Show SMILES C1COc2cc(ccc2O1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H10N4O3S/c1-2-11(20-5-1)13-16-17-15-19(13)18-14(23-15)9-3-4-10-12(8-9)22-7-6-21-10/h1-5,8H,6-7H2
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n/an/a 4.07E+4n/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))
BDBM50044799
PNG
(CHEMBL1337712)
Show SMILES COc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1
Show InChI InChI=1S/C15H12N4O3S/c1-20-10-4-6-11(7-5-10)22-9-13-18-19-14(12-3-2-8-21-12)16-17-15(19)23-13/h2-8H,9H2,1H3
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n/an/a 4.10E+4n/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))
BDBM50425972
PNG
(CHEMBL2314701)
Show SMILES COc1ccc(O)cc1C(=O)c1coc2ccc(O)cc12
Show InChI InChI=1S/C16H12O5/c1-20-14-4-2-10(18)7-12(14)16(19)13-8-21-15-5-3-9(17)6-11(13)15/h2-8,17-18H,1H3
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n/an/a 4.17E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-...


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))
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
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n/an/a 4.40E+4n/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))
BDBM50425973
PNG
(CHEMBL2314700)
Show SMILES COc1ccc(O)c(c1)C(=O)c1coc2ccc(O)cc12
Show InChI InChI=1S/C16H12O5/c1-20-10-3-4-14(18)12(7-10)16(19)13-8-21-15-5-2-9(17)6-11(13)15/h2-8,17-18H,1H3
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n/an/a 4.51E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-...


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))
BDBM50044785
PNG
(CHEMBL3311068)
Show SMILES C1Oc2ccc(cc2O1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C14H8N4O3S/c1-2-10(19-5-1)12-15-16-14-18(12)17-13(22-14)8-3-4-9-11(6-8)21-7-20-9/h1-6H,7H2
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n/an/a 4.52E+4n/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))
BDBM50044794
PNG
(CHEMBL3310821)
Show SMILES COc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C14H10N4O2S/c1-19-10-6-4-9(5-7-10)13-17-18-12(11-3-2-8-20-11)15-16-14(18)21-13/h2-8H,1H3
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n/an/a 4.67E+4n/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))
BDBM50044807
PNG
(CHEMBL3311077)
Show SMILES C(Cc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4OS/c1-2-5-11(6-3-1)8-9-13-18-19-14(12-7-4-10-20-12)16-17-15(19)21-13/h1-7,10H,8-9H2
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n/an/a 4.74E+4n/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))
BDBM50044823
PNG
(CHEMBL3311083)
Show SMILES COc1cccc(OCc2nn3c(nnc3s2)-c2ccco2)c1
Show InChI InChI=1S/C15H12N4O3S/c1-20-10-4-2-5-11(8-10)22-9-13-18-19-14(12-6-3-7-21-12)16-17-15(19)23-13/h2-8H,9H2,1H3
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n/an/a 4.84E+4n/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))
BDBM50044818
PNG
(CHEMBL3310816)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1ccncc1
Show InChI InChI=1S/C12H7N5OS/c1-2-9(18-7-1)10-14-15-12-17(10)16-11(19-12)8-3-5-13-6-4-8/h1-7H
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n/an/a 4.98E+4n/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))
BDBM50044822
PNG
(CHEMBL3311084)
Show SMILES COc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O3S/c1-20-10-5-2-3-6-11(10)22-9-13-18-19-14(12-7-4-8-21-12)16-17-15(19)23-13/h2-8H,9H2,1H3
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n/an/a 5.12E+4n/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))
BDBM50044806
PNG
(CHEMBL1613321)
Show SMILES C(Oc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C14H10N4O2S/c1-2-5-10(6-3-1)20-9-12-17-18-13(11-7-4-8-19-11)15-16-14(18)21-12/h1-8H,9H2
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n/an/a 6.13E+4n/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))
BDBM50044789
PNG
(CHEMBL3311064)
Show SMILES CCOc1cc(cc(OCC)c1OCC)-c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C19H20N4O4S/c1-4-24-14-10-12(11-15(25-5-2)16(14)26-6-3)18-22-23-17(13-8-7-9-27-13)20-21-19(23)28-18/h7-11H,4-6H2,1-3H3
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n/an/a 6.57E+4n/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))
BDBM50044798
PNG
(CHEMBL3310818)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1cnccn1
Show InChI InChI=1S/C11H6N6OS/c1-2-8(18-5-1)9-14-15-11-17(9)16-10(19-11)7-6-12-3-4-13-7/h1-6H
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n/an/a 6.66E+4n/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))
BDBM50044808
PNG
(CHEMBL3311076)
Show SMILES C(c1nn2c(nnc2s1)-c1ccco1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H12N4O3S/c1-2-12(21-5-1)15-17-18-16-20(15)19-14(24-16)9-10-3-4-11-13(8-10)23-7-6-22-11/h1-5,8H,6-7,9H2
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n/an/a 6.70E+4n/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))
BDBM50044805
PNG
(CHEMBL3311078)
Show SMILES CC(Oc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
Show InChI InChI=1S/C15H12N4O2S/c1-10(21-11-6-3-2-4-7-11)14-18-19-13(12-8-5-9-20-12)16-17-15(19)22-14/h2-10H,1H3
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n/an/a 6.79E+4n/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))
BDBM50425975
PNG
(CHEMBL2314711)
Show SMILES Oc1ccc2occ(C(=O)c3ccccc3O)c2c1
Show InChI InChI=1S/C15H10O4/c16-9-5-6-14-11(7-9)12(8-19-14)15(18)10-3-1-2-4-13(10)17/h1-8,16-17H
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n/an/a 7.14E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-...


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))
BDBM50044802
PNG
(CHEMBL3311080)
Show SMILES Cc1cccc(OCc2nn3c(nnc3s2)-c2ccco2)c1
Show InChI InChI=1S/C15H12N4O2S/c1-10-4-2-5-11(8-10)21-9-13-18-19-14(12-6-3-7-20-12)16-17-15(19)22-13/h2-8H,9H2,1H3
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n/an/a 7.53E+4n/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))
BDBM50044810
PNG
(CHEMBL3311074)
Show SMILES COc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1
Show InChI InChI=1S/C15H12N4O2S/c1-20-11-6-4-10(5-7-11)9-13-18-19-14(12-3-2-8-21-12)16-17-15(19)22-13/h2-8H,9H2,1H3
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n/an/a 7.69E+4n/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))
BDBM50044811
PNG
(CHEMBL3311073)
Show SMILES Clc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1
Show InChI InChI=1S/C14H9ClN4OS/c15-10-5-3-9(4-6-10)8-12-18-19-13(11-2-1-7-20-11)16-17-14(19)21-12/h1-7H,8H2
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n/an/a 7.80E+4n/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))
BDBM50044817
PNG
(CHEMBL3310817)
Show SMILES c1coc(c1)-c1nnc2sc(nn12)-c1cccnc1
Show InChI InChI=1S/C12H7N5OS/c1-3-8(7-13-5-1)11-16-17-10(9-4-2-6-18-9)14-15-12(17)19-11/h1-7H
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n/an/a 7.88E+4n/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
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