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Compile Data Set for Download or QSAR

Found 50 hits of ec50 data for polymerid = 3592   
Target
(Institution)
LigandTarget
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 Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50228363
PNG
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
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n/an/an/an/a 160n/an/an/an/a



Sirtris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50228363
PNG
(CHEMBL257991 | N-(2-(3-(piperazin-1-ylmethyl)imida...)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
Show InChI InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
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n/an/an/an/a 160n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50396047
PNG
(CHEMBL482551)
Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1
Show InChI InChI=1S/C22H15N5O/c28-22(20-13-23-16-9-3-4-10-17(16)24-20)27-15-8-2-1-7-14(15)21-25-18-11-5-6-12-19(18)26-21/h1-13H,(H,25,26)(H,27,28)
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n/an/an/an/a 300n/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Activation of SIRT1


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50376978
PNG
(CHEMBL403308 | SRT-2183)
Show SMILES O[C@@H]1CCN(Cc2csc3nc(cn23)-c2ccccc2NC(=O)c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C27H24N4O2S/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33)/t22-/m1/s1
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n/an/an/an/a 360n/an/an/an/a



Sirtris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50396046
PNG
(CHEMBL482552)
Show SMILES O=C(Nc1ccc(CN2CCNCC2)cc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H25N7O/c35-27(25-16-29-21-5-1-2-6-22(21)30-25)33-20-10-9-18(17-34-13-11-28-12-14-34)15-19(20)26-31-23-7-3-4-8-24(23)32-26/h1-10,15-16,28H,11-14,17H2,(H,31,32)(H,33,35)
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n/an/an/an/a 400n/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Activation of SIRT1


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428978
PNG
(CHEMBL522606)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1
Show InChI InChI=1S/C25H23N5O2S/c31-24(23-13-17-5-1-4-8-22(17)32-23)27-20-7-3-2-6-19(20)21-15-30-18(16-33-25(30)28-21)14-29-11-9-26-10-12-29/h1-8,13,15-16,26H,9-12,14H2,(H,27,31)
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n/an/an/an/a 610n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428980
PNG
(CHEMBL491082)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1
Show InChI InChI=1S/C26H24N6OS/c33-25(19-13-18-5-1-3-7-22(18)28-14-19)29-23-8-4-2-6-21(23)24-16-32-20(17-34-26(32)30-24)15-31-11-9-27-10-12-31/h1-8,13-14,16-17,27H,9-12,15H2,(H,29,33)
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n/an/an/an/a 680n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50396049
PNG
(CHEMBL473881)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1-c1nc2ncccc2o1
Show InChI InChI=1S/C21H17N3O4/c1-26-16-10-9-13(12-18(16)27-2)20(25)23-15-7-4-3-6-14(15)21-24-19-17(28-21)8-5-11-22-19/h3-12H,1-2H3,(H,23,25)
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n/an/an/an/a 900n/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Activation of SIRT1


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428990
PNG
(CHEMBL2333664)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C19H14Br2N2O4/c1-27-14-5-4-10-6-12(3-2-11(10)7-14)19(26)23-22-9-13-8-15(20)18(25)16(21)17(13)24/h2-9,24-25H,1H3,(H,23,26)/b22-9+
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n/an/an/an/a 900n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50429007
PNG
(CHEMBL2333667)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2C(F)(F)F)c(O)c1Br
Show InChI InChI=1S/C21H13Br2F3N2O3/c22-16-9-13(18(29)17(23)19(16)30)10-27-28-20(31)12-7-5-11(6-8-12)14-3-1-2-4-15(14)21(24,25)26/h1-10,29-30H,(H,28,31)/b27-10+
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n/an/an/an/a 900n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428981
PNG
(CHEMBL490091)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2ccccc2n1
Show InChI InChI=1S/C26H24N6OS/c33-25(23-10-9-18-5-1-3-7-21(18)28-23)29-22-8-4-2-6-20(22)24-16-32-19(17-34-26(32)30-24)15-31-13-11-27-12-14-31/h1-10,16-17,27H,11-15H2,(H,29,33)
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n/an/an/an/a 990n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428999
PNG
(CHEMBL2333654)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccncc2)c(O)c1Br
Show InChI InChI=1S/C19H13Br2N3O3/c20-15-9-14(17(25)16(21)18(15)26)10-23-24-19(27)13-3-1-11(2-4-13)12-5-7-22-8-6-12/h1-10,25-26H,(H,24,27)/b23-10+
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n/an/an/an/a 1.60E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM31930
PNG
(carbohydrazide derivative, 3m)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br
Show InChI InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+
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n/an/an/an/a 1.60E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428982
PNG
(CHEMBL2333649)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccncn1
Show InChI InChI=1S/C21H21N7OS/c29-20(18-5-6-23-14-24-18)25-17-4-2-1-3-16(17)19-12-28-15(13-30-21(28)26-19)11-27-9-7-22-8-10-27/h1-6,12-14,22H,7-11H2,(H,25,29)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM31962
PNG
(carbohydrazide derivative, 5e)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C20H14Br2N2O3/c21-16-10-15(18(25)17(22)19(16)26)11-23-24-20(27)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,25-26H,(H,24,27)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428988
PNG
(CHEMBL2333666)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C24H16Br2N2O3/c25-20-12-19(22(29)21(26)23(20)30)13-27-28-24(31)18-9-8-16-10-15(6-7-17(16)11-18)14-4-2-1-3-5-14/h1-13,29-30H,(H,28,31)/b27-13+
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n/an/an/an/a 1.80E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50228364
PNG
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428998
PNG
(CHEMBL2333655)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2cccnc2)c(O)c1Br
Show InChI InChI=1S/C19H13Br2N3O3/c20-15-8-14(17(25)16(21)18(15)26)10-23-24-19(27)12-5-3-11(4-6-12)13-2-1-7-22-9-13/h1-10,25-26H,(H,24,27)/b23-10+
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n/an/an/an/a 2.00E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50429000
PNG
(CHEMBL2333653)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccco2)c(O)c1Br
Show InChI InChI=1S/C18H12Br2N2O4/c19-13-8-12(16(23)15(20)17(13)24)9-21-22-18(25)11-5-3-10(4-6-11)14-2-1-7-26-14/h1-9,23-24H,(H,22,25)/b21-9+
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n/an/an/an/a 2.10E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428992
PNG
(CHEMBL2333662)
Show SMILES CS(=O)(=O)c1ccc2cc(ccc2c1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C19H14Br2N2O5S/c1-29(27,28)14-5-4-10-6-12(3-2-11(10)7-14)19(26)23-22-9-13-8-15(20)18(25)16(21)17(13)24/h2-9,24-25H,1H3,(H,23,26)/b22-9+
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n/an/an/an/a 2.30E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428997
PNG
(CHEMBL2333656)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccn2)c(O)c1Br
Show InChI InChI=1S/C19H13Br2N3O3/c20-14-9-13(17(25)16(21)18(14)26)10-23-24-19(27)12-6-4-11(5-7-12)15-3-1-2-8-22-15/h1-10,25-26H,(H,24,27)/b23-10+
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n/an/an/an/a 2.30E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428989
PNG
(CHEMBL2333665)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccco2)c(O)c1Br
Show InChI InChI=1S/C22H14Br2N2O4/c23-17-10-16(20(27)19(24)21(17)28)11-25-26-22(29)15-6-4-12-8-14(5-3-13(12)9-15)18-2-1-7-30-18/h1-11,27-28H,(H,26,29)/b25-11+
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n/an/an/an/a 2.60E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM31967
PNG
(carbohydrazide derivative, 5j)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc3cc(Br)ccc3c2)c(O)c1Br
Show InChI InChI=1S/C18H11Br3N2O3/c19-13-4-3-9-5-11(2-1-10(9)6-13)18(26)23-22-8-12-7-14(20)17(25)15(21)16(12)24/h1-8,24-25H,(H,23,26)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50228364
PNG
(3,4,5-trimethoxy-N-(2-(3-(piperazin-1-ylmethyl)imi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
Show InChI InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Sirtris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50429005
PNG
(CHEMBL2333669)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccc3OCOc3c2)c(O)c1Br
Show InChI InChI=1S/C21H14Br2N2O5/c22-15-7-14(19(26)18(23)20(15)27)9-24-25-21(28)12-3-1-11(2-4-12)13-5-6-16-17(8-13)30-10-29-16/h1-9,26-27H,10H2,(H,25,28)/b24-9+
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n/an/an/an/a 3.40E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428985
PNG
(CHEMBL490880)
Show SMILES COc1cccc(c1)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
Show InChI InChI=1S/C24H25N5O2S/c1-31-19-6-4-5-17(13-19)23(30)26-21-8-3-2-7-20(21)22-15-29-18(16-32-24(29)27-22)14-28-11-9-25-10-12-28/h2-8,13,15-16,25H,9-12,14H2,1H3,(H,26,30)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50429006
PNG
(CHEMBL2333668)
Show SMILES Oc1ccc(cc1-c1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O)C#N
Show InChI InChI=1S/C21H13Br2N3O4/c22-16-8-14(19(28)18(23)20(16)29)10-25-26-21(30)13-4-2-12(3-5-13)15-7-11(9-24)1-6-17(15)27/h1-8,10,27-29H,(H,26,30)/b25-10+
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n/an/an/an/a 3.70E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50396048
PNG
(CHEMBL483942)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccccc1-c1nc2ncccc2o1
Show InChI InChI=1S/C21H18N4O2/c1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h3-13H,1-2H3,(H,23,26)
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n/an/an/an/a 4.40E+3n/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Activation of SIRT1


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428991
PNG
(CHEMBL2333663)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)C#N)c(O)c1Br
Show InChI InChI=1S/C19H11Br2N3O3/c20-15-7-14(17(25)16(21)18(15)26)9-23-24-19(27)13-4-3-11-5-10(8-22)1-2-12(11)6-13/h1-7,9,25-26H,(H,24,27)/b23-9+
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n/an/an/an/a 4.40E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM31965
PNG
(carbohydrazide derivative, 5h)
Show SMILES Oc1cc2ccccc2cc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C18H12Br2N2O4/c19-13-6-11(16(24)15(20)17(13)25)8-21-22-18(26)12-5-9-3-1-2-4-10(9)7-14(12)23/h1-8,23-25H,(H,22,26)
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PubMed
n/an/an/an/a 4.50E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM31963
PNG
(carbohydrazide derivative, 5f)
Show SMILES Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br
Show InChI InChI=1S/C21H14Br2N2O3/c22-17-9-14(19(26)18(23)20(17)27)10-24-25-21(28)12-5-6-16-13(8-12)7-11-3-1-2-4-15(11)16/h1-6,8-10,26-27H,7H2,(H,25,28)
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n/an/an/an/a 5.40E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50396051
PNG
(CHEMBL470835)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H17N3O4/c1-26-16-9-8-13(12-18(16)27-2)20(25)23-15-6-3-5-14(11-15)21-24-19-17(28-21)7-4-10-22-19/h3-12H,1-2H3,(H,23,25)
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n/an/an/an/a 6.00E+3n/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Activation of SIRT1


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428977
PNG
(CHEMBL524124)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2occc2c1
Show InChI InChI=1S/C25H23N5O2S/c31-24(18-5-6-23-17(13-18)7-12-32-23)27-21-4-2-1-3-20(21)22-15-30-19(16-33-25(30)28-22)14-29-10-8-26-9-11-29/h1-7,12-13,15-16,26H,8-11,14H2,(H,27,31)
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n/an/an/an/a 6.90E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM31926
PNG
(carbohydrazide derivative, 3i)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1Br
Show InChI InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+
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n/an/an/an/a 7.00E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428993
PNG
(CHEMBL2333661)
Show SMILES COc1c(Br)c(O)c(Br)cc1\C=N\NC(=O)c1ccc2cc(Br)ccc2c1
Show InChI InChI=1S/C19H13Br3N2O3/c1-27-18-13(8-15(21)17(25)16(18)22)9-23-24-19(26)12-3-2-11-7-14(20)5-4-10(11)6-12/h2-9,25H,1H3,(H,24,26)/b23-9+
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n/an/an/an/a 8.70E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428996
PNG
(CHEMBL2333657)
Show SMILES Cc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
Show InChI InChI=1S/C15H12Br2N2O3/c1-8-2-4-9(5-3-8)15(22)19-18-7-10-6-11(16)14(21)12(17)13(10)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
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n/an/an/an/a 9.60E+3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50429003
PNG
(CHEMBL2333650)
Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1
Show InChI InChI=1S/C20H16N2O3/c23-18-11-10-17(19(24)12-18)13-21-22-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,23-24H,(H,22,25)/b21-13+
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n/an/an/an/a 1.04E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428986
PNG
(CHEMBL489692)
Show SMILES O=C(Cc1ccccc1)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
Show InChI InChI=1S/C24H25N5OS/c30-23(14-18-6-2-1-3-7-18)26-21-9-5-4-8-20(21)22-16-29-19(17-31-24(29)27-22)15-28-12-10-25-11-13-28/h1-9,16-17,25H,10-15H2,(H,26,30)
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n/an/an/an/a 1.40E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50429001
PNG
(CHEMBL2333652)
Show SMILES COc1c(Br)c(O)c(Br)cc1\C=N\NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H16Br2N2O3/c1-28-20-16(11-17(22)19(26)18(20)23)12-24-25-21(27)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,26H,1H3,(H,25,27)/b24-12+
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n/an/an/an/a 1.81E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50429004
PNG
(CHEMBL2333670)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2cccc(c2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C20H14Br2N2O3/c21-16-10-15(18(25)17(22)19(16)26)11-23-24-20(27)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,25-26H,(H,24,27)/b23-11+
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n/an/an/an/a 1.83E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428995
PNG
(CHEMBL2333658)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)C(F)(F)F)c(O)c1Br
Show InChI InChI=1S/C15H9Br2F3N2O3/c16-10-5-8(12(23)11(17)13(10)24)6-21-22-14(25)7-1-3-9(4-2-7)15(18,19)20/h1-6,23-24H,(H,22,25)/b21-6+
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n/an/an/an/a 2.05E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/an/an/a 2.36E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50396050
PNG
(CHEMBL470836)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
Show InChI InChI=1S/C21H18N4O2/c1-25(2)17-9-4-6-14(13-17)20(26)23-16-8-3-7-15(12-16)21-24-19-18(27-21)10-5-11-22-19/h3-13H,1-2H3,(H,23,26)
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n/an/an/an/a 2.50E+4n/an/an/an/a



Sirtris, A GSK Company

Curated by ChEMBL


Assay Description
Activation of SIRT1


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428983
PNG
(CHEMBL523275)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccccc1
Show InChI InChI=1S/C23H23N5OS/c29-22(17-6-2-1-3-7-17)25-20-9-5-4-8-19(20)21-15-28-18(16-30-23(28)26-21)14-27-12-10-24-11-13-27/h1-9,15-16,24H,10-14H2,(H,25,29)
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n/an/an/an/a 2.50E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50429002
PNG
(CHEMBL2333651)
Show SMILES COc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C21H16Br2N2O3/c1-28-20-17(22)11-16(19(26)18(20)23)12-24-25-21(27)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,26H,1H3,(H,25,27)/b24-12+
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n/an/an/an/a 2.81E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428984
PNG
(CHEMBL489891)
Show SMILES COc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c(OC)c1
Show InChI InChI=1S/C25H27N5O3S/c1-32-18-7-8-20(23(13-18)33-2)24(31)27-21-6-4-3-5-19(21)22-15-30-17(16-34-25(30)28-22)14-29-11-9-26-10-12-29/h3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31)
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n/an/an/an/a 3.10E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428979
PNG
(CHEMBL522622)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cccc2cccnc12
Show InChI InChI=1S/C26H24N6OS/c33-25(21-8-3-5-18-6-4-10-28-24(18)21)29-22-9-2-1-7-20(22)23-16-32-19(17-34-26(32)30-23)15-31-13-11-27-12-14-31/h1-10,16-17,27H,11-15H2,(H,29,33)
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n/an/an/an/a 4.50E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/an/an/a 4.62E+4n/an/an/an/a



Sirtris Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometry assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428994
PNG
(CHEMBL2333659)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ncccc3c2)c(O)c1Br
Show InChI InChI=1S/C17H11Br2N3O3/c18-12-7-11(15(23)14(19)16(12)24)8-21-22-17(25)10-3-4-13-9(6-10)2-1-5-20-13/h1-8,23-24H,(H,22,25)/b21-8+
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n/an/an/an/a 5.52E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (human))
BDBM50428987
PNG
(CHEMBL523969)
Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)C1CCCC1
Show InChI InChI=1S/C22H27N5OS/c28-21(16-5-1-2-6-16)24-19-8-4-3-7-18(19)20-14-27-17(15-29-22(27)25-20)13-26-11-9-23-10-12-26/h3-4,7-8,14-16,23H,1-2,5-6,9-13H2,(H,24,28)
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n/an/an/an/a 1.30E+5n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


Citation and Details
More data for this
Ligand-Target Pair