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Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'ajamian' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase


(Homo sapiens (human))
BDBM50277188
PNG
(CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50277188
PNG
(CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)
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n/an/a 9n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50123975
PNG
(3-[4-(biphenyl-4-sulfonylamino)-phenyl]-N-hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
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n/an/a 10n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128069
PNG
(US8796330, 94)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C19H16N2O4S/c22-19(20-23)12-7-14-5-9-17(10-6-14)21-26(24,25)18-11-8-15-3-1-2-4-16(15)13-18/h1-13,21,23H,(H,20,22)/b12-7+
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n/an/a 30n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128072
PNG
(US8796330, 101)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1
Show InChI InChI=1S/C21H16N2O5S/c24-21(22-25)12-7-14-5-8-15(9-6-14)23-29(26,27)16-10-11-20-18(13-16)17-3-1-2-4-19(17)28-20/h1-13,23,25H,(H,22,24)/b12-7+
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n/an/a 40n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50123967
PNG
(3-[4-(Biphenyl-4-ylsulfamoyl)-phenyl]-N-hydroxy-ac...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H18N2O4S/c24-21(22-25)15-8-16-6-13-20(14-7-16)28(26,27)23-19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15,23,25H,(H,22,24)/b15-8+
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n/an/a 40n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50123970
PNG
(CHEMBL168961 | N-Hydroxy-3-[4-(naphthalene-1-sulfo...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H16N2O4S/c22-19(20-23)13-10-14-8-11-16(12-9-14)21-26(24,25)18-7-3-5-15-4-1-2-6-17(15)18/h1-13,21,23H,(H,20,22)/b13-10+
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n/an/a 50n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50123965
PNG
(CHEMBL353839 | N-Hydroxy-3-[4-(quinoline-8-sulfony...)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C18H15N3O4S/c22-17(20-23)11-8-13-6-9-15(10-7-13)21-26(24,25)16-5-1-3-14-4-2-12-19-18(14)16/h1-12,21,23H,(H,20,22)/b11-8+
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n/an/a 50n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128073
PNG
(US8796330, 103)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(s2)-c2cccs2)cc1
Show InChI InChI=1S/C17H14N2O4S3/c20-16(18-21)9-5-12-3-6-13(7-4-12)19-26(22,23)17-10-8-15(25-17)14-2-1-11-24-14/h1-11,19,21H,(H,18,20)/b9-5+
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n/an/a 50n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50123974
PNG
(CHEMBL149534 | N-Hydroxy-3-(4-p-tolylsulfamoyl-phe...)
Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1
Show InChI InChI=1S/C16H16N2O4S/c1-12-2-7-14(8-3-12)18-23(21,22)15-9-4-13(5-10-15)6-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-6+
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n/an/a 50n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50123958
PNG
(3-[4-(3,4-Dimethoxy-phenylsulfamoyl)-phenyl]-N-hyd...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1OC
Show InChI InChI=1S/C17H18N2O6S/c1-24-15-9-6-13(11-16(15)25-2)19-26(22,23)14-7-3-12(4-8-14)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+
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n/an/a 60n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50277329
PNG
((S)-benzyl 1-(6-methoxyquinolin-8-ylamino)-1-oxo-6...)
Show SMILES COc1cc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)c2ncccc2c1
Show InChI InChI=1S/C24H29N5O6S/c1-34-19-14-18-10-7-12-26-22(18)21(15-19)28-23(30)20(11-5-6-13-27-36(25,32)33)29-24(31)35-16-17-8-3-2-4-9-17/h2-4,7-10,12,14-15,20,27H,5-6,11,13,16H2,1H3,(H,28,30)(H,29,31)(H2,25,32,33)/t20-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50257130
PNG
((S)-2-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetami...)
Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCNS(N)(=O)=O)C(=O)Nc3nc(cs3)-c3ccccc3)c2c1
Show InChI InChI=1S/C27H32N6O5S2/c1-17-20(21-14-19(38-2)11-12-22(21)30-17)15-25(34)31-23(10-6-7-13-29-40(28,36)37)26(35)33-27-32-24(16-39-27)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,16,23,29-30H,6-7,10,13,15H2,1-2H3,(H,31,34)(H2,28,36,37)(H,32,33,35)/t23-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105689
PNG
((E)-3-[4-(3,4-Dimethoxy-benzenesulfonylamino)-phen...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C17H18N2O6S/c1-24-15-9-8-14(11-16(15)25-2)26(22,23)19-13-6-3-12(4-7-13)5-10-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b10-5+
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n/an/a 90n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128075
PNG
(US8796330, 111)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
Show InChI InChI=1S/C15H12Cl2N2O5S/c16-10-7-12(17)15(21)13(8-10)25(23,24)19-11-4-1-9(2-5-11)3-6-14(20)18-22/h1-8,19,21-22H,(H,18,20)/b6-3+
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n/an/a 95n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50257173
PNG
((S)-benzyl 1-(1H-benzo[d]imidazol-2-yl)-5-(sulfamo...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H25N5O4S/c21-30(27,28)22-13-7-6-12-18(19-23-16-10-4-5-11-17(16)24-19)25-20(26)29-14-15-8-2-1-3-9-15/h1-5,8-11,18,22H,6-7,12-14H2,(H,23,24)(H,25,26)(H2,21,27,28)/t18-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
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 100n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(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



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128084
PNG
(US8796330, 149)
Show SMILES ONC(=O)c1ccc(CCCC(O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C21H21NO3/c23-20(19-13-12-16-5-1-2-6-18(16)14-19)7-3-4-15-8-10-17(11-9-15)21(24)22-25/h1-2,5-6,8-14,20,23,25H,3-4,7H2,(H,22,24)
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n/an/a 100n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50256996
PNG
((S)-benzyl 1-(4-(4-methoxyphenyl)thiazol-2-ylamino...)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C24H29N5O6S2/c1-34-19-12-10-18(11-13-19)21-16-36-23(27-21)29-22(30)20(9-5-6-14-26-37(25,32)33)28-24(31)35-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20,26H,5-6,9,14-15H2,1H3,(H,28,31)(H2,25,32,33)(H,27,29,30)/t20-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 120n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50257091
PNG
((S)-2-(2-phenylacetamido)-N-(4-phenylthiazol-2-yl)...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O4S2/c24-34(31,32)25-14-8-7-13-19(26-21(29)15-17-9-3-1-4-10-17)22(30)28-23-27-20(16-33-23)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,26,29)(H2,24,31,32)(H,27,28,30)/t19-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50257046
PNG
((S)-benzyl 1-(4-(4-chlorophenyl)thiazol-2-ylamino)...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-11-9-17(10-12-18)20-15-35-22(27-20)29-21(30)19(8-4-5-13-26-36(25,32)33)28-23(31)34-14-16-6-2-1-3-7-16/h1-3,6-7,9-12,15,19,26H,4-5,8,13-14H2,(H,28,31)(H2,25,32,33)(H,27,29,30)/t19-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50256888
PNG
((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50256888
PNG
((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50256888
PNG
((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50256888
PNG
((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50256945
PNG
((S)-benzyl 1-(benzo[d]thiazol-2-ylamino)-1-oxo-6-(...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C21H25N5O5S2/c22-33(29,30)23-13-7-6-11-17(25-21(28)31-14-15-8-2-1-3-9-15)19(27)26-20-24-16-10-4-5-12-18(16)32-20/h1-5,8-10,12,17,23H,6-7,11,13-14H2,(H,25,28)(H2,22,29,30)(H,24,26,27)/t17-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50256887
PNG
((S)-ethyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(s...)
Show SMILES CCOC(=O)N[C@@H](CCCCNS(N)(=O)=O)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C18H25N5O5S2/c1-2-28-18(25)22-14(10-6-7-11-20-30(19,26)27)16(24)23-17-21-15(12-29-17)13-8-4-3-5-9-13/h3-5,8-9,12,14,20H,2,6-7,10-11H2,1H3,(H,22,25)(H2,19,26,27)(H,21,23,24)/t14-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105692
PNG
((E)-3-[4-(4-tert-Butyl-benzenesulfonylamino)-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C19H22N2O4S/c1-19(2,3)15-7-11-17(12-8-15)26(24,25)21-16-9-4-14(5-10-16)6-13-18(22)20-23/h4-13,21,23H,1-3H3,(H,20,22)/b13-6+
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n/an/a 200n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50105678
PNG
((E)-N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C16H16N2O5S/c1-23-14-7-9-15(10-8-14)24(21,22)18-13-5-2-12(3-6-13)4-11-16(19)17-20/h2-11,18,20H,1H3,(H,17,19)/b11-4+
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n/an/a 200n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
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 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry


Bioorg Med Chem Lett 19: 336-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.081
BindingDB Entry DOI: 10.7270/Q2416WXB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128099
PNG
(US8796330, 187)
Show SMILES ONC(=O)Cc1ccc(CCCCc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C19H21NO4/c21-19(20-22)12-16-7-5-14(6-8-16)3-1-2-4-15-9-10-17-18(11-15)24-13-23-17/h5-11,22H,1-4,12-13H2,(H,20,21)
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n/an/a 200n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50256996
PNG
((S)-benzyl 1-(4-(4-methoxyphenyl)thiazol-2-ylamino...)
Show SMILES COc1ccc(cc1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C24H29N5O6S2/c1-34-19-12-10-18(11-13-19)21-16-36-23(27-21)29-22(30)20(9-5-6-14-26-37(25,32)33)28-24(31)35-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20,26H,5-6,9,14-15H2,1H3,(H,28,31)(H2,25,32,33)(H,27,29,30)/t20-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50257223
PNG
((S)-benzyl 5-(sulfamoylamino)-1-(5-(thiophen-2-yl)...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2cc(ccc2[nH]1)-c1cccs1
Show InChI InChI=1S/C24H27N5O4S2/c25-35(31,32)26-13-5-4-9-20(29-24(30)33-16-17-7-2-1-3-8-17)23-27-19-12-11-18(15-21(19)28-23)22-10-6-14-34-22/h1-3,6-8,10-12,14-15,20,26H,4-5,9,13,16H2,(H,27,28)(H,29,30)(H2,25,31,32)/t20-/m0/s1
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128070
PNG
(US8796330, 95)
Show SMILES ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C17H14N2O4S2/c20-16(18-21)10-7-12-5-8-14(9-6-12)19-25(22,23)17-11-13-3-1-2-4-15(13)24-17/h1-11,19,21H,(H,18,20)/b10-7+
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Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM128099
PNG
(US8796330, 187)
Show SMILES ONC(=O)Cc1ccc(CCCCc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C19H21NO4/c21-19(20-22)12-16-7-5-14(6-8-16)3-1-2-4-15-9-10-17-18(11-15)24-13-23-17/h5-11,22H,1-4,12-13H2,(H,20,21)
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n/an/a 210n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50257046
PNG
((S)-benzyl 1-(4-(4-chlorophenyl)thiazol-2-ylamino)...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-11-9-17(10-12-18)20-15-35-22(27-20)29-21(30)19(8-4-5-13-26-36(25,32)33)28-23(31)34-14-16-6-2-1-3-7-16/h1-3,6-7,9-12,15,19,26H,4-5,8,13-14H2,(H,28,31)(H2,25,32,33)(H,27,29,30)/t19-/m0/s1
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50256947
PNG
((S)-3-chlorobenzyl 1-oxo-1-(4-phenylthiazol-2-ylam...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1cccc(Cl)c1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-10-6-7-16(13-18)14-34-23(31)28-19(11-4-5-12-26-36(25,32)33)21(30)29-22-27-20(15-35-22)17-8-2-1-3-9-17/h1-3,6-10,13,15,19,26H,4-5,11-12,14H2,(H,28,31)(H2,25,32,33)(H,27,29,30)/t19-/m0/s1
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50123977
PNG
(3-[4-(5-Dimethylamino-naphthalene-1-sulfonylamino)...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H21N3O4S/c1-24(2)19-7-3-6-18-17(19)5-4-8-20(18)29(27,28)23-16-12-9-15(10-13-16)11-14-21(25)22-26/h3-14,23,26H,1-2H3,(H,22,25)/b14-11+
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n/an/a 280n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50257224
PNG
((S)-benzyl 1-(2-phenyl-1H-imidazol-4-yl)-5-(sulfam...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C22H27N5O4S/c23-32(29,30)25-14-8-7-13-19(27-22(28)31-16-17-9-3-1-4-10-17)20-15-24-21(26-20)18-11-5-2-6-12-18/h1-6,9-12,15,19,25H,7-8,13-14,16H2,(H,24,26)(H,27,28)(H2,23,29,30)/t19-/m0/s1
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLAG-tagged HDAC1 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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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Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128065
PNG
(US8796330, 34)
Show SMILES ONC(=O)CCCCc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H20N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,7-8,10-13,19,21H,4-6,9H2,(H,18,20)
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n/an/a 300n/an/an/an/an/an/a



Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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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Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM128077
PNG
(US8796330, 128)
Show SMILES ONC(=O)C#Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H16N2O4S/c24-21(22-25)15-8-16-6-11-19(12-7-16)23-28(26,27)20-13-9-18(10-14-20)17-4-2-1-3-5-17/h1-7,9-14,23,25H,(H,22,24)
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Methylgene Inc.

US Patent


Assay Description
For deacetylase assays, 20,000 cpm of the [3H]-metabolically labeled acetylated histone substrate (M. Yoshida et al., J. Biol. Chem. 265(28): 17174-1...


US Patent US8796330 (2014)


BindingDB Entry DOI: 10.7270/Q22B8WQW
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50257225
PNG
((S)-benzyl 1-(5-phenyl-1H-1,2,4-triazol-3-yl)-5-(s...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C21H26N6O4S/c22-32(29,30)23-14-8-7-13-18(24-21(28)31-15-16-9-3-1-4-10-16)20-25-19(26-27-20)17-11-5-2-6-12-17/h1-6,9-12,18,23H,7-8,13-15H2,(H,24,28)(H2,22,29,30)(H,25,26,27)/t18-/m0/s1
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MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged HDAC6 expressed in baculovirus


Bioorg Med Chem Lett 19: 1866-70 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.075
BindingDB Entry DOI: 10.7270/Q2PV6K7W
More data for this
Ligand-Target Pair
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