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Compile Data Set for Download or QSAR

Found 116 hits from Albert-Ludwigs-University Freiburg   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50148829
PNG
(CHEMBL3769432)
Show SMILES CC(C)[C@@H]1NC(=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)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC1=O)[C@@H](C)O)C(N)=O)[C@@H](C)O
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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n/an/a 1n/an/an/an/an/an/a



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


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 15n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using RHKKAc peptide as substrate


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(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 53n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148612
PNG
(CHEMBL3770095)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 59n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148617
PNG
(CHEMBL3771189)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 81n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148620
PNG
(CHEMBL3769820)
Show SMILES ONC(=O)c1coc(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C14H10N2O3/c17-13(16-18)12-8-19-14(15-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,18H,(H,16,17)
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n/an/a 89n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148613
PNG
(CHEMBL3771326)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,20H,(H,18,19)
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n/an/a 89n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148618
PNG
(CHEMBL3770763)
Show SMILES ONC(=O)c1coc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C10H7FN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 110n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148624
PNG
(CHEMBL3770180)
Show SMILES ONC(=O)c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C9H7N3O3/c13-8(11-14)7-10-9(15-12-7)6-4-2-1-3-5-6/h1-5,14H,(H,11,13)
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n/an/a 112n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
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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n/an/a 119n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NAD-dependent 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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n/an/a 180n/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


(Homo sapiens (human))
BDBM50148621
PNG
(CHEMBL3770029)
Show SMILES COc1ccc2cc(ccc2c1)-c1nc(co1)C(=O)NO
Show InChI InChI=1S/C15H12N2O4/c1-20-12-5-4-9-6-11(3-2-10(9)7-12)15-16-13(8-21-15)14(18)17-19/h2-8,19H,1H3,(H,17,18)
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n/an/a 182n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148619
PNG
(CHEMBL3769415)
Show SMILES COc1ccc(cc1)-c1nc(co1)C(=O)NO
Show InChI InChI=1S/C11H10N2O4/c1-16-8-4-2-7(3-5-8)11-12-9(6-17-11)10(14)13-15/h2-6,15H,1H3,(H,13,14)
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n/an/a 195n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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 deacetylase sirtuin 2


(Homo sapiens (human))
BDBM50148784
PNG
(CHEMBL3769991)
Show SMILES C[C@H](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)/t16-/m0/s1
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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


(Homo sapiens (human))
BDBM50148611
PNG
(CHEMBL3769783)
Show SMILES ONC(=O)c1coc(n1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O3/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-6,14H,(H,12,13)
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Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148627
PNG
(CHEMBL3771312)
Show SMILES ONC(=O)c1csc(n1)-c1cccnc1
Show InChI InChI=1S/C9H7N3O2S/c13-8(12-14)7-5-15-9(11-7)6-2-1-3-10-4-6/h1-5,14H,(H,12,13)
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n/an/a 300n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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
Histone deacetylase


(Homo sapiens (human))
BDBM50148615
PNG
(CHEMBL3770566)
Show SMILES ONC(=O)c1coc(n1)-c1cccs1
Show InChI InChI=1S/C8H6N2O3S/c11-7(10-12)5-4-13-8(9-5)6-2-1-3-14-6/h1-4,12H,(H,10,11)
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n/an/a 311n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148622
PNG
(CHEMBL3771174)
Show SMILES Cc1ccc(cc1)-c1nc(co1)C(=O)NO
Show InChI InChI=1S/C11H10N2O3/c1-7-2-4-8(5-3-7)11-12-9(6-16-11)10(14)13-15/h2-6,15H,1H3,(H,13,14)
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n/an/a 313n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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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n/an/a 320n/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 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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n/an/a 420n/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 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 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
Histone deacetylase


(Homo sapiens (human))
BDBM50148623
PNG
(CHEMBL3771355)
Show SMILES ONC(=O)c1coc(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-10,20H,(H,18,19)
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n/an/a 500n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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
NAD-dependent 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
Histone deacetylase


(Homo sapiens (human))
BDBM50148607
PNG
(CHEMBL3769683)
Show SMILES ONC(=O)c1csc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C10H7BrN2O2S/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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)
Histone deacetylase


(Homo sapiens (human))
BDBM50148626
PNG
(CHEMBL3769938)
Show SMILES ONC(=O)c1noc(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H11N3O3/c19-14(17-20)13-16-15(21-18-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20H,(H,17,19)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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 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 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 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 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
Histone deacetylase 8


(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 1.89E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (human))
BDBM50148610
PNG
(CHEMBL3770917)
Show SMILES ONC(=O)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C10H8N2O2S/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-6,14H,(H,12,13)
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n/an/a 1.91E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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


(Homo sapiens (human))
BDBM50148616
PNG
(CHEMBL3770606)
Show SMILES ONC(=O)c1coc(n1)-c1ccccc1Br
Show InChI InChI=1S/C10H7BrN2O3/c11-7-4-2-1-3-6(7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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
Histone deacetylase


(Homo sapiens (human))
BDBM50148608
PNG
(CHEMBL3770119)
Show SMILES ONC(=O)c1csc(Cc2ccccc2)n1
Show InChI InChI=1S/C11H10N2O2S/c14-11(13-15)9-7-16-10(12-9)6-8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H,13,14)
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n/an/a 2.54E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50148614
PNG
(CHEMBL3770136)
Show SMILES ONC(=O)c1coc(n1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H14N2O3/c20-16(19-21)14-11-22-17(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15,21H,(H,19,20)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148625
PNG
(CHEMBL3771009)
Show SMILES ONC(=O)c1noc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C9H6BrN3O3/c10-6-3-1-5(2-4-6)9-11-7(13-16-9)8(14)12-15/h1-4,15H,(H,12,14)
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n/an/a 2.77E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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 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
Histone deacetylase


(Homo sapiens (human))
BDBM50148609
PNG
(CHEMBL3770484)
Show SMILES ONC(=O)c1csc(n1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c20-16(19-21)14-11-22-17(18-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,15,21H,(H,19,20)
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n/an/a 3.69E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
NAD-dependent 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)
NAD-dependent 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 8


(Homo sapiens (human))
BDBM50148615
PNG
(CHEMBL3770566)
Show SMILES ONC(=O)c1coc(n1)-c1cccs1
Show InChI InChI=1S/C8H6N2O3S/c11-7(10-12)5-4-13-8(9-5)6-2-1-3-14-6/h1-4,12H,(H,10,11)
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n/an/a 8.13E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 using Z-L-Lys(eta-trifluoroacetyl)-AMC as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50148606
PNG
(CHEMBL3771210)
Show SMILES ONC(=O)c1csc(n1)-c1cnccn1
Show InChI InChI=1S/C8H6N4O2S/c13-7(12-14)6-4-15-8(11-6)5-3-9-1-2-10-5/h1-4,14H,(H,12,13)
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n/an/a 8.85E+3n/an/an/an/an/an/a



Albert-Ludwigs-University Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis


J Med Chem 59: 1545-55 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01493
BindingDB Entry DOI: 10.7270/Q2X350BD
More data for this
Ligand-Target Pair
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