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Compile Data Set for Download or QSAR

Found 70 hits Enz. Inhib. hit(s) with all data for entry = 50004861   
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
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486596
PNG
(CHEMBL2235264)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H24BrNO3/c22-19-14-12-17(13-15-19)16-8-10-18(11-9-16)20(24)6-4-2-1-3-5-7-21(25)23-26/h8-15,26H,1-7H2,(H,23,25)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486590
PNG
(CHEMBL2235262)
Show SMILES ONC(=O)CCCCCCC\C(=N/O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H26N2O3/c24-21(23-26)12-8-3-1-2-7-11-20(22-25)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-6,9-10,13-16,25-26H,1-3,7-8,11-12H2,(H,23,24)/b22-20+
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486567
PNG
(CHEMBL2235266)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H33N3O3/c29-24(11-7-2-1-3-8-12-25(30)26-31)21-13-15-23(16-14-21)28-19-17-27(18-20-28)22-9-5-4-6-10-22/h4-6,9-10,13-16,31H,1-3,7-8,11-12,17-20H2,(H,26,30)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486573
PNG
(CHEMBL2235260)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H25NO3/c23-20(11-7-2-1-3-8-12-21(24)22-25)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-6,9-10,13-16,25H,1-3,7-8,11-12H2,(H,22,24)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486589
PNG
(CHEMBL2235657)
Show SMILES ONC(=O)CCCCCC\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c21-19(20-22)12-6-4-2-1-3-5-9-16-13-14-17-10-7-8-11-18(17)15-16/h5,7-11,13-15,22H,1-4,6,12H2,(H,20,21)/b9-5+
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486577
PNG
(CHEMBL2235263)
Show SMILES ONC(=O)CCCCCCCC(=C)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25NO2/c1-16(9-5-3-2-4-6-12-20(22)21-23)18-14-13-17-10-7-8-11-19(17)15-18/h7-8,10-11,13-15,23H,1-6,9,12H2,(H,21,22)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486578
PNG
(CHEMBL2235261)
Show SMILES ONC(=O)CCCCCCC\C(=N/O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O3/c22-19(21-24)11-5-3-1-2-4-10-18(20-23)17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14,23-24H,1-5,10-11H2,(H,21,22)/b20-18+
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n/an/a 8.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486576
PNG
(CHEMBL2235265)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C20H30N2O3/c23-19(9-5-2-1-3-6-10-20(24)21-25)17-11-13-18(14-12-17)22-15-7-4-8-16-22/h11-14,25H,1-10,15-16H2,(H,21,24)
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n/an/a 9.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486591
PNG
(CHEMBL2235257)
Show SMILES COc1ccc(cc1)C(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C16H23NO4/c1-21-14-11-9-13(10-12-14)15(18)7-5-3-2-4-6-8-16(19)17-20/h9-12,20H,2-8H2,1H3,(H,17,19)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486583
PNG
(CHEMBL2235251)
Show SMILES OCc1ccc(Cc2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C17H17NO3/c19-12-16-7-5-15(6-8-16)11-14-3-1-13(2-4-14)9-10-17(20)18-21/h1-10,19,21H,11-12H2,(H,18,20)/b10-9+
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486575
PNG
(CHEMBL2235658)
Show SMILES ONC(=O)CCCCCCCCc1ccc2ccccc2c1
Show InChI InChI=1S/C19H25NO2/c21-19(20-22)12-6-4-2-1-3-5-9-16-13-14-17-10-7-8-11-18(17)15-16/h7-8,10-11,13-15,22H,1-6,9,12H2,(H,20,21)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486574
PNG
(CHEMBL2235659)
Show SMILES ONC(=O)CCCCCCCC(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H25NO3/c21-18(10-4-2-1-3-5-11-19(22)20-23)17-13-12-15-8-6-7-9-16(15)14-17/h6-9,12-14,18,21,23H,1-5,10-11H2,(H,20,22)
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50114814
PNG
(8-Naphthalen-2-yl-8-oxo-octanoic acid hydroxyamide...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H21NO3/c20-17(9-3-1-2-4-10-18(21)19-22)16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13,22H,1-4,9-10H2,(H,19,21)
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486568
PNG
(CHEMBL2235258)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H20F3NO3/c17-16(18,19)13-10-8-12(9-11-13)14(21)6-4-2-1-3-5-7-15(22)20-23/h8-11,23H,1-7H2,(H,20,22)
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n/an/a 45n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486579
PNG
(CHEMBL2235259)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H20BrNO3/c16-13-10-8-12(9-11-13)14(18)6-4-2-1-3-5-7-15(19)17-20/h8-11,20H,1-7H2,(H,17,19)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486586
PNG
(CHEMBL2235664)
Show SMILES COc1ccc(CS(=O)(=O)Nc2ccc(\C=C/C(=O)NO)cc2)cc1
Show InChI InChI=1S/C17H18N2O5S/c1-24-16-9-4-14(5-10-16)12-25(22,23)19-15-7-2-13(3-8-15)6-11-17(20)18-21/h2-11,19,21H,12H2,1H3,(H,18,20)/b11-6-
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50114824
PNG
(9-Oxo-9-phenyl-nonanoic acid hydroxyamide | CHEMBL...)
Show SMILES ONC(=O)CCCCCCCC(=O)c1ccccc1
Show InChI InChI=1S/C15H21NO3/c17-14(13-9-5-4-6-10-13)11-7-2-1-3-8-12-15(18)16-19/h4-6,9-10,19H,1-3,7-8,11-12H2,(H,16,18)
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n/an/a 65n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486592
PNG
(CHEMBL2235253)
Show SMILES ONC(=O)CCCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H20N2O4/c19-14(17-22)10-4-2-1-3-7-11-18-15(20)12-8-5-6-9-13(12)16(18)21/h5-6,8-9,22H,1-4,7,10-11H2,(H,17,19)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105675
PNG
((E)-3-[4-(4-Chloro-benzenesulfonylamino)-phenyl]-N...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H13ClN2O4S/c16-12-4-8-14(9-5-12)23(21,22)18-13-6-1-11(2-7-13)3-10-15(19)17-20/h1-10,18,20H,(H,17,19)/b10-3+
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n/an/a 75n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486588
PNG
(CHEMBL2235665)
Show SMILES COc1ccc(CS(=O)(=O)Nc2ccc(\C=C/C(=O)NO)cc2)cc1OC
Show InChI InChI=1S/C18H20N2O6S/c1-25-16-9-5-14(11-17(16)26-2)12-27(23,24)20-15-7-3-13(4-8-15)6-10-18(21)19-22/h3-11,20,22H,12H2,1-2H3,(H,19,21)/b10-6-
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486597
PNG
(CHEMBL2235256)
Show SMILES COc1ccccc1C(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C16H23NO4/c1-21-15-11-8-7-9-13(15)14(18)10-5-3-2-4-6-12-16(19)17-20/h7-9,11,20H,2-6,10,12H2,1H3,(H,17,19)
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TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105688
PNG
((E)-N-Hydroxy-3-[4-(3-trifluoromethyl-benzenesulfo...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3N2O4S/c17-16(18,19)12-2-1-3-14(10-12)26(24,25)21-13-7-4-11(5-8-13)6-9-15(22)20-23/h1-10,21,23H,(H,20,22)/b9-6+
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486595
PNG
(CHEMBL2235662)
Show SMILES CC(C)(C)c1ccc(CS(=O)(=O)Nc2ccc(\C=C/C(=O)NO)cc2)cc1
Show InChI InChI=1S/C20H24N2O4S/c1-20(2,3)17-9-4-16(5-10-17)14-27(25,26)22-18-11-6-15(7-12-18)8-13-19(23)21-24/h4-13,22,24H,14H2,1-3H3,(H,21,23)/b13-8-
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105684
PNG
(3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-propio...)
Show SMILES ONC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-7,9-10,17,19H,8,11H2,(H,16,18)
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105696
PNG
((E)-3-[4-(3,4-Dichloro-benzenesulfonylamino)-pheny...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C15H12Cl2N2O4S/c16-13-7-6-12(9-14(13)17)24(22,23)19-11-4-1-10(2-5-11)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)/b8-3+
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105686
PNG
((E)-N-Hydroxy-3-[4-(toluene-3-sulfonylamino)-pheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-3-2-4-15(11-12)23(21,22)18-14-8-5-13(6-9-14)7-10-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b10-7+
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n/an/a 100n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50473980
PNG
(CHEMBL149606)
Show SMILES ONC(=O)CCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H18N2O4/c18-13(16-21)9-3-1-2-6-10-17-14(19)11-7-4-5-8-12(11)15(17)20/h4-5,7-8,21H,1-3,6,9-10H2,(H,16,18)
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n/an/a 103n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486581
PNG
(CHEMBL2235254)
Show SMILES ONC(=O)CCCCCCCCC(=O)c1ccccc1
Show InChI InChI=1S/C16H23NO3/c18-15(14-10-6-5-7-11-14)12-8-3-1-2-4-9-13-16(19)17-20/h5-7,10-11,20H,1-4,8-9,12-13H2,(H,17,19)
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n/an/a 135n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486580
PNG
(CHEMBL2235255)
Show SMILES ONC(=O)CCCCCCCC(=O)c1cccnc1
Show InChI InChI=1S/C14H20N2O3/c17-13(12-7-6-10-15-11-12)8-4-2-1-3-5-9-14(18)16-19/h6-7,10-11,19H,1-5,8-9H2,(H,16,18)
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n/an/a 153n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 181n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105691
PNG
((E)-3-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-ac...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)11-8-12-6-9-13(10-7-12)17-22(20,21)14-4-2-1-3-5-14/h1-11,17,19H,(H,16,18)/b11-8+
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105677
PNG
((E)-N-Hydroxy-3-[4-(toluene-4-sulfonylamino)-pheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-2-9-15(10-3-12)23(21,22)18-14-7-4-13(5-8-14)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105681
PNG
((E)-3-[4-(2,4-Dichloro-benzenesulfonylamino)-pheny...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H12Cl2N2O4S/c16-11-4-7-14(13(17)9-11)24(22,23)19-12-5-1-10(2-6-12)3-8-15(20)18-21/h1-9,19,21H,(H,18,20)/b8-3+
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50293354
PNG
(CHEMBL555906 | N-hydroxy-E-3-[4'-Hydroxybiphenyl-3...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO3/c17-14-7-5-12(6-8-14)13-3-1-2-11(10-13)4-9-15(18)16-19/h1-10,17,19H,(H,16,18)/b9-4+
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n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50114826
PNG
(8-(4-Methoxy-phenyl)-8-oxo-octanoic acid hydroxyam...)
Show SMILES COc1ccc(cc1)C(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C15H21NO4/c1-20-13-10-8-12(9-11-13)14(17)6-4-2-3-5-7-15(18)16-19/h8-11,19H,2-7H2,1H3,(H,16,18)
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n/an/a 450n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486593
PNG
(CHEMBL2235252)
Show SMILES ONC(=O)\C=C\c1ccc(Cc2ccc(O)c(Cl)c2)cc1
Show InChI InChI=1S/C16H14ClNO3/c17-14-10-13(5-7-15(14)19)9-12-3-1-11(2-4-12)6-8-16(20)18-21/h1-8,10,19,21H,9H2,(H,18,20)/b8-6+
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n/an/a 460n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50114834
PNG
(8-Oxo-8-phenyl-octanoic acid hydroxyamide | CHEMBL...)
Show SMILES ONC(=O)CCCCCCC(=O)c1ccccc1
Show InChI InChI=1S/C14H19NO3/c16-13(12-8-4-3-5-9-12)10-6-1-2-7-11-14(17)15-18/h3-5,8-9,18H,1-2,6-7,10-11H2,(H,15,17)
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n/an/a 500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50293358
PNG
(CHEMBL556332 | N-Hydroxy-E-3-(4'-hydroxybiphenyl-4...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H13NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h1-10,17,19H,(H,16,18)/b10-3+
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n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486572
PNG
(CHEMBL2235267)
Show SMILES CC(CCCCCC(=O)c1ccc2ccccc2c1)C(=O)NOCCCCC(=O)NO
Show InChI InChI=1S/C24H32N2O5/c1-18(24(29)26-31-16-8-7-13-23(28)25-30)9-3-2-4-12-22(27)21-15-14-19-10-5-6-11-20(19)17-21/h5-6,10-11,14-15,17-18,30H,2-4,7-9,12-13,16H2,1H3,(H,25,28)(H,26,29)
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486587
PNG
(CHEMBL2235663)
Show SMILES CC(C)c1cc(C(C)C)c(cc1CS(=O)(=O)Nc1ccc(\C=C/C(=O)NO)cc1)C(C)C
Show InChI InChI=1S/C25H34N2O4S/c1-16(2)22-14-24(18(5)6)23(17(3)4)13-20(22)15-32(30,31)27-21-10-7-19(8-11-21)9-12-25(28)26-29/h7-14,16-18,27,29H,15H2,1-6H3,(H,26,28)/b12-9-
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105685
PNG
((E)-3-[4-(Benzenesulfonyl-methyl-amino)-phenyl]-N-...)
Show SMILES CN(c1ccc(\C=C\C(=O)NO)cc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O4S/c1-18(23(21,22)15-5-3-2-4-6-15)14-10-7-13(8-11-14)9-12-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b12-9+
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105683
PNG
((E)-N-Hydroxy-3-[4-(4-trifluoromethoxy-benzenesulf...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C16H13F3N2O5S/c17-16(18,19)26-13-6-8-14(9-7-13)27(24,25)21-12-4-1-11(2-5-12)3-10-15(22)20-23/h1-10,21,23H,(H,20,22)/b10-3+
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n/an/a 600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM128081
PNG
(US8796330, 145)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H14ClN3O3/c17-12-4-8-14(9-5-12)19-16(22)18-13-6-1-11(2-7-13)3-10-15(21)20-23/h1-10,23H,(H,20,21)(H2,18,19,22)/b10-3+
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n/an/a 840n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105690
PNG
(2-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-acetam...)
Show SMILES ONC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(15-18)10-11-6-8-12(9-7-11)16-21(19,20)13-4-2-1-3-5-13/h1-9,16,18H,10H2,(H,15,17)
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n/an/a 900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486569
PNG
(CHEMBL2235666)
Show SMILES ONC(=O)c1ccc(CCCc2ccccc2)cc1
Show InChI InChI=1S/C16H17NO2/c18-16(17-19)15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,19H,4,7-8H2,(H,17,18)
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Article
n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50105694
PNG
(4-(4-Benzenesulfonylamino-phenyl)-N-hydroxy-butyra...)
Show SMILES ONC(=O)CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H18N2O4S/c19-16(17-20)8-4-5-13-9-11-14(12-10-13)18-23(21,22)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20H,4-5,8H2,(H,17,19)
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Article
n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50114832
PNG
(7-Oxo-7-phenyl-heptanoic acid hydroxyamide | CHEMB...)
Show SMILES ONC(=O)CCCCCC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3/c15-12(11-7-3-1-4-8-11)9-5-2-6-10-13(16)14-17/h1,3-4,7-8,17H,2,5-6,9-10H2,(H,14,16)
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Article
n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50293364
PNG
(CHEMBL551151 | N-Hydroxy-3-(4'-hydroxybiphenyl-4-y...)
Show SMILES ONC(=O)CCc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H15NO3/c17-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(18)16-19/h1-2,4-9,17,19H,3,10H2,(H,16,18)
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Article
n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50486571
PNG
(CHEMBL2235660)
Show SMILES C\C(CC(=O)NO)=C/Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O4S/c1-14(13-18(21)19-22)7-8-15-9-11-16(12-10-15)20-25(23,24)17-5-3-2-4-6-17/h2-7,9-12,20,22H,8,13H2,1H3,(H,19,21)/b14-7+
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Article
n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM128083
PNG
(US8796330, 148)
Show SMILES ONC(=O)c1ccc(CCCS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H17NO4S/c18-16(17-19)14-10-8-13(9-11-14)5-4-12-22(20,21)15-6-2-1-3-7-15/h1-3,6-11,19H,4-5,12H2,(H,17,18)
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Article
n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) HDAC8


Citation and Details

Article DOI: 10.1007/s00044-011-9571-y
BindingDB Entry DOI: 10.7270/Q2KH0R79
More data for this
Ligand-Target Pair
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