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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'lehotzky' and Initial = 'a'   
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-2


(Homo sapiens (Human))
BDBM50148829
PNG
(CHEMBL3769432)
Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O |r|
Show InChI InChI=1S/C90H122F3N27O23S/c1-44(2)70-84(140)110-57(9-5-6-28-102-87(143)90(91,92)93)74(130)108-58(10-7-29-103-88(96)97)75(131)109-59(11-8-30-104-89(98)99)76(132)119-71(45(3)121)86(142)116-66(37-68(94)127)81(137)112-61(32-48-14-22-54(124)23-15-48)78(134)111-62(33-49-16-24-55(125)25-17-49)80(136)117-67(73(95)129)40-144-41-69(128)107-60(31-47-12-20-53(123)21-13-47)77(133)113-65(36-52-39-101-43-106-52)83(139)120-72(46(4)122)85(141)115-63(34-50-18-26-56(126)27-19-50)79(135)114-64(82(138)118-70)35-51-38-100-42-105-51/h12-27,38-39,42-46,57-67,70-72,121-126H,5-11,28-37,40-41H2,1-4H3,(H2,94,127)(H2,95,129)(H,100,105)(H,101,106)(H,102,143)(H,107,128)(H,108,130)(H,109,131)(H,110,140)(H,111,134)(H,112,137)(H,113,133)(H,114,135)(H,115,141)(H,116,142)(H,117,136)(H,118,138)(H,119,132)(H,120,139)(H4,96,97,103)(H4,98,99,104)/t45-,46-,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,70+,71+,72+/m1/s1
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Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 50n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50459845
PNG
(CHEMBL4227437)
Show SMILES COCCn1cc(COc2cccc(Cc3cnc(NC(=O)CSc4nc(C)cc(C)n4)s3)c2)nn1
Show InChI InChI=1S/C24H27N7O3S2/c1-16-9-17(2)27-24(26-16)35-15-22(32)28-23-25-12-21(36-23)11-18-5-4-6-20(10-18)34-14-19-13-31(30-29-19)7-8-33-3/h4-6,9-10,12-13H,7-8,11,14-15H2,1-3H3,(H,25,28,32)
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...


J Med Chem 61: 482-491 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01872
BindingDB Entry DOI: 10.7270/Q24B33Z7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 140n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50459842
PNG
(CHEMBL4228286)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(Cc5ccccc5)nn4)c3)s2)n1
Show InChI InChI=1S/C28H27N7O2S2/c1-19-11-20(2)31-28(30-19)38-18-26(36)32-27-29-14-25(39-27)13-22-9-6-10-24(12-22)37-17-23-16-35(34-33-23)15-21-7-4-3-5-8-21/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,29,32,36)
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...


J Med Chem 61: 482-491 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01872
BindingDB Entry DOI: 10.7270/Q24B33Z7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148782
PNG
(CHEMBL3770049)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1
Show InChI InChI=1S/C22H19ClN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)
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Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148782
PNG
(CHEMBL3770049)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1
Show InChI InChI=1S/C22H19ClN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...


J Med Chem 61: 482-491 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01872
BindingDB Entry DOI: 10.7270/Q24B33Z7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148789
PNG
(CHEMBL3771286)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Br)cc34)s2)n1
Show InChI InChI=1S/C22H19BrN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)
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n/an/a 210n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50459841
PNG
(CHEMBL4225467)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCCCNC(=O)COc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)nn4)c3)s2)n1
Show InChI InChI=1S/C40H40N10O8S2/c1-23-15-24(2)44-40(43-23)59-22-34(53)46-39-42-18-28(60-39)17-25-7-5-8-27(16-25)57-20-26-19-49(48-47-26)14-4-3-13-41-33(52)21-58-31-10-6-9-29-35(31)38(56)50(37(29)55)30-11-12-32(51)45-36(30)54/h5-10,15-16,18-19,30H,3-4,11-14,17,20-22H2,1-2H3,(H,41,52)(H,42,46,53)(H,45,51,54)
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...


J Med Chem 61: 482-491 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01872
BindingDB Entry DOI: 10.7270/Q24B33Z7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148784
PNG
(CHEMBL3769991)
Show SMILES C[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 |r|
Show InChI InChI=1S/C23H22N4OS2/c1-14-11-15(2)26-23(25-14)29-16(3)21(28)27-22-24-13-19(30-22)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13,16H,12H2,1-3H3,(H,24,27,28)/t16-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148791
PNG
(CHEMBL3770797)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3c(C)ccc4ccccc34)s2)n1
Show InChI InChI=1S/C23H22N4OS2/c1-14-8-9-17-6-4-5-7-19(17)20(14)11-18-12-24-22(30-18)27-21(28)13-29-23-25-15(2)10-16(3)26-23/h4-10,12H,11,13H2,1-3H3,(H,24,27,28)
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Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50459843
PNG
(CHEMBL4225505)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC5SCC6NC(=O)NC56)nn4)c3)s2)n1
Show InChI InChI=1S/C55H84N10O15S3/c1-42-34-43(2)59-55(58-42)82-41-51(67)61-54-57-37-47(83-54)36-44-6-5-7-46(35-44)80-39-45-38-65(64-63-45)11-13-70-15-17-72-19-21-74-23-25-76-27-29-78-31-33-79-32-30-77-28-26-75-24-22-73-20-18-71-16-14-69-12-10-56-50(66)9-4-3-8-49-52-48(40-81-49)60-53(68)62-52/h5-7,34-35,37-38,48-49,52H,3-4,8-33,36,39-41H2,1-2H3,(H,56,66)(H,57,61,67)(H2,60,62,68)
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University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...


J Med Chem 61: 482-491 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01872
BindingDB Entry DOI: 10.7270/Q24B33Z7
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148792
PNG
(CHEMBL3771296)
Show SMILES CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccc(Cl)cc23)s1
Show InChI InChI=1S/C24H23ClN4OS2/c1-4-21(32-24-27-14(2)10-15(3)28-24)22(30)29-23-26-13-19(31-23)11-17-7-5-6-16-8-9-18(25)12-20(16)17/h5-10,12-13,21H,4,11H2,1-3H3,(H,26,29,30)
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Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148783
PNG
(CHEMBL3771164)
Show SMILES CC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1
Show InChI InChI=1S/C23H22N4OS2/c1-14-11-15(2)26-23(25-14)29-16(3)21(28)27-22-24-13-19(30-22)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13,16H,12H2,1-3H3,(H,24,27,28)
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Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148781
PNG
(CHEMBL3770903)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1
Show InChI InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
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n/an/a 440n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...


J Med Chem 61: 482-491 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01872
BindingDB Entry DOI: 10.7270/Q24B33Z7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148781
PNG
(CHEMBL3770903)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1
Show InChI InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
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n/an/a 440n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148793
PNG
(CHEMBL3770258)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4cc(Cl)ccc34)s2)n1
Show InChI InChI=1S/C22H19ClN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)10-16-5-3-4-15-9-17(23)6-7-19(15)16/h3-9,11H,10,12H2,1-2H3,(H,24,27,28)
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n/an/a 480n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148795
PNG
(CHEMBL3769999)
Show SMILES CC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccc(Cl)cc23)s1
Show InChI InChI=1S/C23H21ClN4OS2/c1-13-9-14(2)27-23(26-13)30-15(3)21(29)28-22-25-12-19(31-22)10-17-6-4-5-16-7-8-18(24)11-20(16)17/h4-9,11-12,15H,10H2,1-3H3,(H,25,28,29)
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n/an/a 540n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148794
PNG
(CHEMBL3771278)
Show SMILES CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1
Show InChI InChI=1S/C24H24N4OS2/c1-4-21(31-24-26-15(2)12-16(3)27-24)22(29)28-23-25-14-19(30-23)13-18-10-7-9-17-8-5-6-11-20(17)18/h5-12,14,21H,4,13H2,1-3H3,(H,25,28,29)
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n/an/a 540n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 550n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human SIRT2 using MPSDKTIGG as substrate by liquid scintillation counting analysis in presence of [3H]-acetic ac...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148803
PNG
(CHEMBL3771012)
Show SMILES CCOc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)c1
Show InChI InChI=1S/C20H22N4O2S2/c1-4-26-16-7-5-6-15(9-16)10-17-11-21-19(28-17)24-18(25)12-27-20-22-13(2)8-14(3)23-20/h5-9,11H,4,10,12H2,1-3H3,(H,21,24,25)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148827
PNG
(CHEMBL3769975)
Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1
Show InChI InChI=1S/C28H26N4O2S/c1-34-24-11-8-19-6-2-3-7-21(19)23(24)16-32-17-31-27-26(28(32)33)22-10-9-20(13-25(22)35-27)30-15-18-5-4-12-29-14-18/h2-8,11-12,14,17,20,30H,9-10,13,15-16H2,1H3
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n/an/a 1.45E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 using RHKK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorescence assay


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148796
PNG
(CHEMBL3770983)
Show SMILES Cc1ccnc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1
Show InChI InChI=1S/C21H18N4OS2/c1-14-9-10-22-20(24-14)27-13-19(26)25-21-23-12-17(28-21)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12H,11,13H2,1H3,(H,23,25,26)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148804
PNG
(CHEMBL3770654)
Show SMILES Cc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)c1
Show InChI InChI=1S/C19H20N4OS2/c1-12-5-4-6-15(7-12)9-16-10-20-18(26-16)23-17(24)11-25-19-21-13(2)8-14(3)22-19/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148753
PNG
(CHEMBL3770429)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2nnc(Cc3cccc4ccccc34)s2)n1
Show InChI InChI=1S/C21H19N5OS2/c1-13-10-14(2)23-20(22-13)28-12-18(27)24-21-26-25-19(29-21)11-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3,(H,24,26,27)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148797
PNG
(CHEMBL3769691)
Show SMILES CC(Sc1ncccn1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1
Show InChI InChI=1S/C21H18N4OS2/c1-14(27-20-22-10-5-11-23-20)19(26)25-21-24-13-17(28-21)12-16-8-4-7-15-6-2-3-9-18(15)16/h2-11,13-14H,12H2,1H3,(H,24,25,26)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50115661
PNG
(CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...)
Show SMILES ONC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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n/an/a 2.03E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148798
PNG
(CHEMBL3770426)
Show SMILES O=C(CSc1ncccn1)Nc1ncc(Cc2cccc3ccccc23)s1
Show InChI InChI=1S/C20H16N4OS2/c25-18(13-26-19-21-9-4-10-22-19)24-20-23-12-16(27-20)11-15-7-3-6-14-5-1-2-8-17(14)15/h1-10,12H,11,13H2,(H,23,24,25)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50459844
PNG
(CHEMBL4227975)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCC#C)c3)s2)n1
Show InChI InChI=1S/C21H20N4O2S2/c1-4-8-27-17-7-5-6-16(10-17)11-18-12-22-20(29-18)25-19(26)13-28-21-23-14(2)9-15(3)24-21/h1,5-7,9-10,12H,8,11,13H2,2-3H3,(H,22,25,26)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...


J Med Chem 61: 482-491 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01872
BindingDB Entry DOI: 10.7270/Q24B33Z7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50499957
PNG
(CHEMBL3739529)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3
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n/an/a 3.39E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148805
PNG
(CHEMBL3771035)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)n1
Show InChI InChI=1S/C18H17ClN4OS2/c1-11-7-12(2)22-18(21-11)25-10-16(24)23-17-20-9-15(26-17)8-13-3-5-14(19)6-4-13/h3-7,9H,8,10H2,1-2H3,(H,20,23,24)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148828
PNG
(CHEMBL3770979)
Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11-
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n/an/a 3.50E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2 by fluorometric assay


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148776
PNG
(CHEMBL3769988)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1
Show InChI InChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23)
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n/an/a 3.75E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His10-tagged Sirt2 (56 to 356 residues) expressed in Escherichia coli BL21(DE3) using Z-(Ac)Lys-AMC as substrate meas...


J Med Chem 61: 482-491 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01872
BindingDB Entry DOI: 10.7270/Q24B33Z7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148776
PNG
(CHEMBL3769988)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1
Show InChI InChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23)
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n/an/a 3.75E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 3.85E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148806
PNG
(CHEMBL3769677)
Show SMILES Cc1ccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)cc1
Show InChI InChI=1S/C19H20N4OS2/c1-12-4-6-15(7-5-12)9-16-10-20-18(26-16)23-17(24)11-25-19-21-13(2)8-14(3)22-19/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)
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n/an/a 4.72E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50115661
PNG
(CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...)
Show SMILES ONC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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n/an/a 6.31E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50115661
PNG
(CHEMBL320497 | N,8-dihydroxy-8-(hydroxyamino)octan...)
Show SMILES ONC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C8H16N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
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n/an/a 8.23E+3n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148787
PNG
(CHEMBL3769518)
Show SMILES C[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 |r|
Show InChI InChI=1S/C23H22N4OS2/c1-14-11-15(2)26-23(25-14)29-16(3)21(28)27-22-24-13-19(30-22)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13,16H,12H2,1-3H3,(H,24,27,28)/t16-/m1/s1
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n/an/a 9.77E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148807
PNG
(CHEMBL3770872)
Show SMILES COc1ccc(Cc2cnc(NC(=O)C(C)Sc3nc(C)cc(C)n3)s2)cc1
Show InChI InChI=1S/C20H22N4O2S2/c1-12-9-13(2)23-20(22-12)27-14(3)18(25)24-19-21-11-17(28-19)10-15-5-7-16(26-4)8-6-15/h5-9,11,14H,10H2,1-4H3,(H,21,24,25)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148799
PNG
(CHEMBL3770811)
Show SMILES Cc1nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)nc(C)c1C
Show InChI InChI=1S/C23H22N4OS2/c1-14-15(2)25-23(26-16(14)3)29-13-21(28)27-22-24-12-19(30-22)11-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,12H,11,13H2,1-3H3,(H,24,27,28)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148824
PNG
(CHEMBL3771302)
Show SMILES O=C(CSc1ncccn1)Nc1ncc(Cc2ccccc2)s1
Show InChI InChI=1S/C16H14N4OS2/c21-14(11-22-15-17-7-4-8-18-15)20-16-19-10-13(23-16)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,19,20,21)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19422
PNG
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148754
PNG
(CHEMBL3769473)
Show SMILES O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)Nc1nnc(Cc2ccccc2)s1
Show InChI InChI=1S/C26H20N6OS2/c33-21(27-26-32-29-22(35-26)16-18-10-4-1-5-11-18)17-34-25-28-23(19-12-6-2-7-13-19)24(30-31-25)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,27,32,33)
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n/an/a 1.99E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50499957
PNG
(CHEMBL3739529)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3
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n/an/a 2.99E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50499957
PNG
(CHEMBL3739529)
Show SMILES CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H48N2O12/c1-25(2,3)37-21(33)29(41-23(35)39-27(7,8)9)19(31)17-15-13-14-16-18-20(32)30(22(34)38-26(4,5)6)42-24(36)40-28(10,11)12/h13-18H2,1-12H3
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n/an/a 3.06E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) by fluorimetric assay


Bioorg Med Chem Lett 26: 154-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.011
BindingDB Entry DOI: 10.7270/Q2BK1GCP
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148755
PNG
(CHEMBL3770731)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)n1
Show InChI InChI=1S/C17H16ClN5OS2/c1-10-7-11(2)20-16(19-10)25-9-14(24)21-17-23-22-15(26-17)8-12-3-5-13(18)6-4-12/h3-7H,8-9H2,1-2H3,(H,21,23,24)
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n/an/a 3.09E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50148775
PNG
(CHEMBL3770857)
Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(s2)C(=O)Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C22H19N5O2S2/c1-13-10-14(2)25-22(24-13)30-12-19(28)27-21-23-11-18(31-21)20(29)26-17-9-5-7-15-6-3-4-8-16(15)17/h3-11H,12H2,1-2H3,(H,26,29)(H,23,27,28)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...


J Med Chem 59: 1599-612 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01517
BindingDB Entry DOI: 10.7270/Q2HX1FH2
More data for this
Ligand-Target Pair
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