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Compile Data Set for Download or QSAR

Found 200 hits Enz. Inhib. hit(s) with Target = 'HDACs' AND taxid = 9606   
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
HDACs


(Homo sapiens (human))
BDBM50221964
PNG
(CHEMBL114184)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H23NO3/c21-19(20-22)10-6-1-2-7-15-23-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14,22H,1-2,6-7,10,15H2,(H,20,21)
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n/an/a 0.0200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221943
PNG
(CHEMBL432618)
Show SMILES COC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H24O4/c1-24-21(23)20(22)11-7-2-3-8-16-25-19-14-12-18(13-15-19)17-9-5-4-6-10-17/h4-6,9-10,12-15H,2-3,7-8,11,16H2,1H3
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n/an/a 0.0620n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221809
PNG
(CHEMBL321689)
Show SMILES COC(=O)C(=O)CCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H22O4/c1-23-20(22)19(21)10-6-3-7-15-24-18-13-11-17(12-14-18)16-8-4-2-5-9-16/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3
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n/an/a 0.0820n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221786
PNG
(CHEMBL432243)
Show SMILES COC(=O)C(=O)CCCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H26O4/c1-25-22(24)21(23)12-8-3-2-4-9-17-26-20-15-13-19(14-16-20)18-10-6-5-7-11-18/h5-7,10-11,13-16H,2-4,8-9,12,17H2,1H3
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n/an/a 0.109n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221965
PNG
(CHEMBL113303)
Show SMILES CNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-22-21(24)20(23)11-7-2-3-8-16-25-19-14-12-18(13-15-19)17-9-5-4-6-10-17/h4-6,9-10,12-15H,2-3,7-8,11,16H2,1H3,(H,22,24)
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n/an/a 0.110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221785
PNG
(CHEMBL112984)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C23H29N3O3S/c1-24-22(29)20(27)10-4-2-3-5-11-21(28)26-23-25-19(15-30-23)18-13-12-16-8-6-7-9-17(16)14-18/h12-15H,2-11H2,1H3,(H,24,29)(H,25,26,28)
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222318
PNG
(CHEMBL123626)
Show SMILES COc1ccc(cc1)-c1cnc(CCCCCCC(=O)NO)o1
Show InChI InChI=1S/C17H22N2O4/c1-22-14-10-8-13(9-11-14)15-12-18-17(23-15)7-5-3-2-4-6-16(20)19-21/h8-12,21H,2-7H2,1H3,(H,19,20)
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222327
PNG
(CHEMBL124282)
Show SMILES COc1ccc(cc1)-c1csc(CCCCCCC(=O)NO)n1
Show InChI InChI=1S/C17H22N2O3S/c1-22-14-10-8-13(9-11-14)15-12-23-17(18-15)7-5-3-2-4-6-16(20)19-21/h8-12,21H,2-7H2,1H3,(H,19,20)
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n/an/a 2.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222343
PNG
(CHEMBL339720)
Show SMILES ONC(=O)CCCCCCc1ncc(o1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H19BrN2O3/c17-13-9-7-12(8-10-13)14-11-18-16(22-14)6-4-2-1-3-5-15(20)19-21/h7-11,21H,1-6H2,(H,19,20)
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n/an/a 2.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50218532
PNG
(CHEMBL112148)
Show SMILES FC(F)(F)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21F3O2/c21-20(22,23)19(24)10-6-1-2-7-15-25-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14H,1-2,6-7,10,15H2
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n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220817
PNG
(CHEMBL57792)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O4/c1-24-15-8-6-7-13-12(15)11-14(19-13)17(22)18-10-5-3-2-4-9-16(21)20-23/h6-8,11,19,23H,2-5,9-10H2,1H3,(H,18,22)(H,20,21)
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220805
PNG
(CHEMBL294194)
Show SMILES COc1cc(OC)c2cc([nH]c2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C18H25N3O5/c1-25-12-9-14-13(16(10-12)26-2)11-15(20-14)18(23)19-8-6-4-3-5-7-17(22)21-24/h9-11,20,24H,3-8H2,1-2H3,(H,19,23)(H,21,22)
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221925
PNG
(CHEMBL113033)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccc(CCN(C)C)cc1
Show InChI InChI=1S/C23H32N4O3S/c1-24-22(30)20(28)8-6-4-5-7-9-21(29)26-23-25-19(16-31-23)18-12-10-17(11-13-18)14-15-27(2)3/h10-13,16H,4-9,14-15H2,1-3H3,(H,24,30)(H,25,26,29)
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n/an/a 3.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220804
PNG
(CHEMBL301223)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C16H20BrN3O3/c17-12-6-7-13-11(9-12)10-14(19-13)16(22)18-8-4-2-1-3-5-15(21)20-23/h6-7,9-10,19,23H,1-5,8H2,(H,18,22)(H,20,21)
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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220802
PNG
(CHEMBL54409)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C22H25N3O3/c26-21(24-28)14-6-1-2-9-15-23-22(27)19-16-25(17-10-4-3-5-11-17)20-13-8-7-12-18(19)20/h3-5,7-8,10-13,16,28H,1-2,6,9,14-15H2,(H,23,27)(H,24,26)
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n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM25152
PNG
(CHEMBL112446 | N-methyl-2-oxo-N'-(3-phenylphenyl)n...)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c1-23-22(27)20(25)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)
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n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221807
PNG
(CHEMBL115049)
Show SMILES OC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H22O4/c21-19(20(22)23)10-6-1-2-7-15-24-18-13-11-17(12-14-18)16-8-4-3-5-9-16/h3-5,8-9,11-14H,1-2,6-7,10,15H2,(H,22,23)
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n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221814
PNG
(CHEMBL113034)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C18H22N4O3S/c1-19-17(25)15(23)6-4-2-3-5-7-16(24)22-18-21-14(12-26-18)13-8-10-20-11-9-13/h8-12H,2-7H2,1H3,(H,19,25)(H,21,22,24)
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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222339
PNG
(CHEMBL340885)
Show SMILES ONC(=O)CCCCCCc1nc(cs1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H22N2O2S/c23-19(22-24)9-3-1-2-4-10-20-21-18(14-25-20)17-12-11-15-7-5-6-8-16(15)13-17/h5-8,11-14,24H,1-4,9-10H2,(H,22,23)
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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222342
PNG
(CHEMBL435415)
Show SMILES COc1cccc(OC)c1-c1csc(CCCCCCC(=O)NO)n1
Show InChI InChI=1S/C18H24N2O4S/c1-23-14-8-7-9-15(24-2)18(14)13-12-25-17(19-13)11-6-4-3-5-10-16(21)20-22/h7-9,12,22H,3-6,10-11H2,1-2H3,(H,20,21)
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n/an/a 4.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222345
PNG
(CHEMBL123905)
Show SMILES ONC(=O)CCCCCCc1cnc(o1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H19BrN2O3/c17-13-9-7-12(8-10-13)16-18-11-14(22-16)5-3-1-2-4-6-15(20)19-21/h7-11,21H,1-6H2,(H,19,20)
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n/an/a 4.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221938
PNG
(CHEMBL321253)
Show SMILES CCNC(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-2-23-22(25)21(24)12-8-3-4-9-17-26-20-15-13-19(14-16-20)18-10-6-5-7-11-18/h5-7,10-11,13-16H,2-4,8-9,12,17H2,1H3,(H,23,25)
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n/an/a 4.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221988
PNG
(CHEMBL113566)
Show SMILES CN(C)C(=O)C(=O)CCCCCCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-23(2)22(25)21(24)12-8-3-4-9-17-26-20-15-13-19(14-16-20)18-10-6-5-7-11-18/h5-7,10-11,13-16H,3-4,8-9,12,17H2,1-2H3
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n/an/a>5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220819
PNG
(CHEMBL58487)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C16H20FN3O3/c17-12-6-7-13-11(9-12)10-14(19-13)16(22)18-8-4-2-1-3-5-15(21)20-23/h6-7,9-10,19,23H,1-5,8H2,(H,18,22)(H,20,21)
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n/an/a 5.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222363
PNG
(CHEMBL125042)
Show SMILES ONC(=O)CCCCCCc1nc(cs1)-c1cccc(Br)c1
Show InChI InChI=1S/C16H19BrN2O2S/c17-13-7-5-6-12(10-13)14-11-22-16(18-14)9-4-2-1-3-8-15(20)19-21/h5-7,10-11,21H,1-4,8-9H2,(H,19,20)
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n/an/a 5.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220807
PNG
(CHEMBL294447)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O3/c1-12-7-8-14-13(10-12)11-15(19-14)17(22)18-9-5-3-2-4-6-16(21)20-23/h7-8,10-11,19,23H,2-6,9H2,1H3,(H,18,22)(H,20,21)
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n/an/a 6.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220806
PNG
(CHEMBL293812)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O4/c1-24-13-7-8-14-12(10-13)11-15(19-14)17(22)18-9-5-3-2-4-6-16(21)20-23/h7-8,10-11,19,23H,2-6,9H2,1H3,(H,18,22)(H,20,21)
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n/an/a 6.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222341
PNG
(CHEMBL124650)
Show SMILES ONC(=O)CCCCCCc1ncc(o1)-c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClN2O3/c23-19-13-11-17(12-14-19)16-7-9-18(10-8-16)20-15-24-22(28-20)6-4-2-1-3-5-21(26)25-27/h7-15,27H,1-6H2,(H,25,26)
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n/an/a 6.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222319
PNG
(CHEMBL340835)
Show SMILES ONC(=O)CCCCCCc1nc(cs1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H19BrN2O2S/c17-13-9-7-12(8-10-13)14-11-22-16(18-14)6-4-2-1-3-5-15(20)19-21/h7-11,21H,1-6H2,(H,19,20)
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n/an/a 8.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222011
PNG
(CHEMBL324429)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H25N3O4S/c1-21-19(26)17(24)7-5-3-4-6-8-18(25)23-20-22-16(13-28-20)14-9-11-15(27-2)12-10-14/h9-13H,3-8H2,1-2H3,(H,21,26)(H,22,23,25)
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n/an/a 9.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50218242
PNG
(CHEMBL115812)
Show SMILES ONC(=O)CCCCCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H22N2O3/c21-15-16-6-8-17(9-7-16)18-10-12-19(13-11-18)25-14-4-2-1-3-5-20(23)22-24/h6-13,24H,1-5,14H2,(H,22,23)
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n/an/a 9.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human histone deacetylase (mixture of HDAC1 and HDAC2) prepared from K562 erythroleukemia cells.


Bioorg Med Chem Lett 12: 3443-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00754-0
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221941
PNG
(CHEMBL420300)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C20H24N2O3/c1-21-20(25)18(23)10-4-2-3-5-11-19(24)22-17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14H,2-5,10-11H2,1H3,(H,21,25)(H,22,24)
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n/an/a 9.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221810
PNG
(CHEMBL111898)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C19H23N3O3/c1-20-19(25)17(23)10-4-2-3-5-11-18(24)22-15-12-14-8-6-7-9-16(14)21-13-15/h6-9,12-13H,2-5,10-11H2,1H3,(H,20,25)(H,22,24)
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n/an/a 9.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222334
PNG
(CHEMBL127846)
Show SMILES ONC(=O)CCCCCCc1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C16H20N2O3/c19-15(18-20)10-6-1-2-7-11-16-17-12-14(21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,18,19)
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n/an/a 9.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220822
PNG
(CHEMBL56214)
Show SMILES COc1ccc2cc([nH]c2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H23N3O4/c1-24-13-8-7-12-10-15(19-14(12)11-13)17(22)18-9-5-3-2-4-6-16(21)20-23/h7-8,10-11,19,23H,2-6,9H2,1H3,(H,18,22)(H,20,21)
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n/an/a 9.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(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 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human histone deacetylase (mixture of HDAC1 and HDAC2) prepared from K562 erythroleukemia cells.


Bioorg Med Chem Lett 12: 3443-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00754-0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HDACs


(Homo sapiens (human))
BDBM50222365
PNG
(CHEMBL340113)
Show SMILES CNC(=O)C(=O)CCCCCCc1ncc(o1)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H24N2O4/c1-20-19(23)16(22)7-5-3-4-6-8-18-21-13-17(25-18)14-9-11-15(24-2)12-10-14/h9-13H,3-8H2,1-2H3,(H,20,23)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222323
PNG
(CHEMBL126274)
Show SMILES ONC(=O)CCCCCCc1nc(cs1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O2S/c25-21(24-26)10-6-1-2-7-11-22-23-20(16-27-22)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-5,8-9,12-16,26H,1-2,6-7,10-11H2,(H,24,25)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50221940
PNG
(CHEMBL333150)
Show SMILES CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C19H23N3O3S/c1-20-18(25)16(23)11-7-2-3-8-12-17(24)22-19-21-15(13-26-19)14-9-5-4-6-10-14/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3,(H,20,25)(H,21,22,24)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone deacetylase 2 (HDAC2) from nuclear extraction of K562 erythroleukemi...


Bioorg Med Chem Lett 13: 3331-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00685-1
More data for this
Ligand-Target Pair
HDACs


(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 11n/an/an/an/an/an/a



Qilu Normal University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/HDAC2 in human HeLa cell nuclear extract preincubated for 20 mins followed by addition of HDAC green as substrate measured after ...


Bioorg Med Chem Lett 26: 4679-4683 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.073
BindingDB Entry DOI: 10.7270/Q2V69MKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HDACs


(Homo sapiens (human))
BDBM50220793
PNG
(CHEMBL54408)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(-c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C22H24FN3O3/c23-16-10-12-17(13-11-16)26-15-19(18-7-4-5-8-20(18)26)22(28)24-14-6-2-1-3-9-21(27)25-29/h4-5,7-8,10-13,15,29H,1-3,6,9,14H2,(H,24,28)(H,25,27)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220824
PNG
(CHEMBL56782)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H27N3O3/c27-22(25-29)14-6-1-2-9-15-24-23(28)20-17-26(16-18-10-4-3-5-11-18)21-13-8-7-12-19(20)21/h3-5,7-8,10-13,17,29H,1-2,6,9,14-16H2,(H,24,28)(H,25,27)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222344
PNG
(CHEMBL339796)
Show SMILES ONC(=O)CCCCCCc1cnc(o1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H24N2O3/c25-21(24-26)11-7-2-1-6-10-20-16-23-22(27-20)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-5,8-9,12-16,26H,1-2,6-7,10-11H2,(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220810
PNG
(CHEMBL57226)
Show SMILES ONC(=O)CCCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O3/c19-14(18-21)8-2-1-5-9-16-15(20)13-10-11-6-3-4-7-12(11)17-13/h3-4,6-7,10,17,21H,1-2,5,8-9H2,(H,16,20)(H,18,19)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50222338
PNG
(CHEMBL127184)
Show SMILES ONC(=O)CCCCCCc1cnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H20N2O3/c19-15(18-20)11-7-2-1-6-10-14-12-17-16(21-14)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,18,19)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from K562 erythroleukemia cells


Bioorg Med Chem Lett 13: 3817-20 (2003)


Article DOI: 10.1016/j.bmcl.2003.07.012
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220795
PNG
(CHEMBL57106)
Show SMILES Cc1c(oc2ccccc12)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H22N2O4/c1-12-13-8-5-6-9-14(13)23-16(12)17(21)18-11-7-3-2-4-10-15(20)19-22/h5-6,8-9,22H,2-4,7,10-11H2,1H3,(H,18,21)(H,19,20)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220794
PNG
(CHEMBL55719)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C23H27N3O4/c27-22(26-29)10-6-1-2-7-13-24-23(28)21-15-18-14-19(11-12-20(18)25-21)30-16-17-8-4-3-5-9-17/h3-5,8-9,11-12,14-15,25,29H,1-2,6-7,10,13,16H2,(H,24,28)(H,26,27)
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n/an/a 14n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220791
PNG
(CHEMBL59316)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2cc(Cl)ccc2o1
Show InChI InChI=1S/C16H19ClN2O4/c17-12-6-7-13-11(9-12)10-14(23-13)16(21)18-8-4-2-1-3-5-15(20)19-22/h6-7,9-10,22H,1-5,8H2,(H,18,21)(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220818
PNG
(CHEMBL56344)
Show SMILES COc1ccc2oc(cc2c1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C17H22N2O5/c1-23-13-7-8-14-12(10-13)11-15(24-14)17(21)18-9-5-3-2-4-6-16(20)19-22/h7-8,10-11,22H,2-6,9H2,1H3,(H,18,21)(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
HDACs


(Homo sapiens (human))
BDBM50220811
PNG
(CHEMBL56157)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H21N3O3/c20-15(19-22)9-3-1-2-6-10-17-16(21)14-11-12-7-4-5-8-13(12)18-14/h4-5,7-8,11,18,22H,1-3,6,9-10H2,(H,17,21)(H,19,20)
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against histone deacetylase (HDAC).


Bioorg Med Chem Lett 13: 1897-901 (2003)


Article DOI: 10.1016/s0960-894x(03)00301-9
More data for this
Ligand-Target Pair
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