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PubMed code 19272776

Compile data set for download or QSAR
Found 63 hits of Enzyme Inhibition Constant Data   
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 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


(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))
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


(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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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 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))
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))
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


(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))
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


(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 250n/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))
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))
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


(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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n/an/a 320n/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))
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 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))
BDBM50257093
PNG
((S)-2-(3-(4-fluorobenzyl)ureido)-N-(4-phenylthiazo...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27FN6O4S2/c24-18-11-9-16(10-12-18)14-26-22(32)28-19(8-4-5-13-27-36(25,33)34)21(31)30-23-29-20(15-35-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,27H,4-5,8,13-14H2,(H2,25,33,34)(H2,26,28,32)(H,29,30,31)/t19-/m0/s1
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n/an/a 350n/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))
BDBM50257093
PNG
((S)-2-(3-(4-fluorobenzyl)ureido)-N-(4-phenylthiazo...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H27FN6O4S2/c24-18-11-9-16(10-12-18)14-26-22(32)28-19(8-4-5-13-27-36(25,33)34)21(31)30-23-29-20(15-35-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,27H,4-5,8,13-14H2,(H2,25,33,34)(H2,26,28,32)(H,29,30,31)/t19-/m0/s1
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n/an/a 370n/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))
BDBM50257170
PNG
((S)-benzyl 1-(2-(4-(2-(dimethylamino)ethoxy)phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(cs1)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H35N5O5S2/c1-31(2)16-17-35-22-13-11-21(12-14-22)25-29-24(19-37-25)23(10-6-7-15-28-38(27,33)34)30-26(32)36-18-20-8-4-3-5-9-20/h3-5,8-9,11-14,19,23,28H,6-7,10,15-18H2,1-2H3,(H,30,32)(H2,27,33,34)/t23-/m0/s1
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n/an/a 390n/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))
BDBM50257132
PNG
((S)-benzyl 1-(2-phenylthiazol-4-yl)-5-(sulfamoylam...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C22H26N4O4S2/c23-32(28,29)24-14-8-7-13-19(26-22(27)30-15-17-9-3-1-4-10-17)20-16-31-21(25-20)18-11-5-2-6-12-18/h1-6,9-12,16,19,24H,7-8,13-15H2,(H,26,27)(H2,23,28,29)/t19-/m0/s1
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n/an/a 400n/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))
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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n/an/a 410n/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))
BDBM50256997
PNG
((S)-benzyl 1-(4-(3-methoxyphenyl)thiazol-2-ylamino...)
Show SMILES COc1cccc(c1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C24H29N5O6S2/c1-34-19-11-7-10-18(14-19)21-16-36-23(27-21)29-22(30)20(12-5-6-13-26-37(25,32)33)28-24(31)35-15-17-8-3-2-4-9-17/h2-4,7-11,14,16,20,26H,5-6,12-13,15H2,1H3,(H,28,31)(H2,25,32,33)(H,27,29,30)/t20-/m0/s1
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n/an/a 420n/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))
BDBM50256995
PNG
((S)-benzyl 1-(4,5-diphenylthiazol-2-ylamino)-1-oxo...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H31N5O5S2/c30-41(37,38)31-19-11-10-18-24(32-29(36)39-20-21-12-4-1-5-13-21)27(35)34-28-33-25(22-14-6-2-7-15-22)26(40-28)23-16-8-3-9-17-23/h1-9,12-17,24,31H,10-11,18-20H2,(H,32,36)(H2,30,37,38)(H,33,34,35)/t24-/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))
BDBM50256997
PNG
((S)-benzyl 1-(4-(3-methoxyphenyl)thiazol-2-ylamino...)
Show SMILES COc1cccc(c1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C24H29N5O6S2/c1-34-19-11-7-10-18(14-19)21-16-36-23(27-21)29-22(30)20(12-5-6-13-26-37(25,32)33)28-24(31)35-15-17-8-3-2-4-9-17/h2-4,7-11,14,16,20,26H,5-6,12-13,15H2,1H3,(H,28,31)(H2,25,32,33)(H,27,29,30)/t20-/m0/s1
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n/an/a 460n/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))
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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n/an/a 480n/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))
BDBM50257133
PNG
((S)-benzyl 1-(2-(4-methoxyphenyl)thiazol-4-yl)-5-(...)
Show SMILES COc1ccc(cc1)-c1nc(cs1)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H28N4O5S2/c1-31-19-12-10-18(11-13-19)22-26-21(16-33-22)20(9-5-6-14-25-34(24,29)30)27-23(28)32-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20,25H,5-6,9,14-15H2,1H3,(H,27,28)(H2,24,29,30)/t20-/m0/s1
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n/an/a 480n/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))
BDBM50257133
PNG
((S)-benzyl 1-(2-(4-methoxyphenyl)thiazol-4-yl)-5-(...)
Show SMILES COc1ccc(cc1)-c1nc(cs1)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C23H28N4O5S2/c1-31-19-12-10-18(11-13-19)22-26-21(16-33-22)20(9-5-6-14-25-34(24,29)30)27-23(28)32-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20,25H,5-6,9,14-15H2,1H3,(H,27,28)(H2,24,29,30)/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))
BDBM50257047
PNG
((S)-benzyl 1-(4-(4-isopropylphenyl)thiazol-2-ylami...)
Show SMILES CC(C)c1ccc(cc1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C26H33N5O5S2/c1-18(2)20-11-13-21(14-12-20)23-17-37-25(29-23)31-24(32)22(10-6-7-15-28-38(27,34)35)30-26(33)36-16-19-8-4-3-5-9-19/h3-5,8-9,11-14,17-18,22,28H,6-7,10,15-16H2,1-2H3,(H,30,33)(H2,27,34,35)(H,29,31,32)/t22-/m0/s1
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n/an/a 520n/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))
BDBM50257094
PNG
((S)-2-(phenylmethylsulfonamido)-N-(4-phenylthiazol...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H27N5O5S3/c23-35(31,32)24-14-8-7-13-19(27-34(29,30)16-17-9-3-1-4-10-17)21(28)26-22-25-20(15-33-22)18-11-5-2-6-12-18/h1-6,9-12,15,19,24,27H,7-8,13-14,16H2,(H2,23,31,32)(H,25,26,28)/t19-/m0/s1
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n/an/a 520n/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))
BDBM50257049
PNG
((S)-4-chlorobenzyl 1-oxo-1-(4-phenylthiazol-2-ylam...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccc(Cl)cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-11-9-16(10-12-18)14-34-23(31)28-19(8-4-5-13-26-36(25,32)33)21(30)29-22-27-20(15-35-22)17-6-2-1-3-7-17/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 530n/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))
BDBM50257092
PNG
((S)-N-(4-phenylthiazol-2-yl)-2-(3-phenylureido)-6-...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H26N6O4S2/c23-34(31,32)24-14-8-7-13-18(26-21(30)25-17-11-5-2-6-12-17)20(29)28-22-27-19(15-33-22)16-9-3-1-4-10-16/h1-6,9-12,15,18,24H,7-8,13-14H2,(H2,23,31,32)(H2,25,26,30)(H,27,28,29)/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
Histone deacetylase 1


(Homo sapiens (human))
BDBM50257049
PNG
((S)-4-chlorobenzyl 1-oxo-1-(4-phenylthiazol-2-ylam...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccc(Cl)cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C23H26ClN5O5S2/c24-18-11-9-16(10-12-18)14-34-23(31)28-19(8-4-5-13-26-36(25,32)33)21(30)29-22-27-20(15-35-22)17-6-2-1-3-7-17/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 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))
BDBM50256994
PNG
((S)-ethyl 2-(2-(benzyloxycarbonylamino)-6-(sulfamo...)
Show SMILES CCOC(=O)c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C20H27N5O7S2/c1-2-31-18(27)16-13-33-19(23-16)25-17(26)15(10-6-7-11-22-34(21,29)30)24-20(28)32-12-14-8-4-3-5-9-14/h3-5,8-9,13,15,22H,2,6-7,10-12H2,1H3,(H,24,28)(H2,21,29,30)(H,23,25,26)/t15-/m0/s1
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n/an/a 580n/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))
BDBM50256944
PNG
((S)-pyridin-3-ylmethyl 1-oxo-1-(4-phenylthiazol-2-...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1cccnc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H26N6O5S2/c23-35(31,32)25-12-5-4-10-18(27-22(30)33-14-16-7-6-11-24-13-16)20(29)28-21-26-19(15-34-21)17-8-2-1-3-9-17/h1-3,6-9,11,13,15,18,25H,4-5,10,12,14H2,(H,27,30)(H2,23,31,32)(H,26,28,29)/t18-/m0/s1
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n/an/a 600n/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))
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 700n/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))
BDBM50257132
PNG
((S)-benzyl 1-(2-phenylthiazol-4-yl)-5-(sulfamoylam...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C22H26N4O4S2/c23-32(28,29)24-14-8-7-13-19(26-22(27)30-15-17-9-3-1-4-10-17)20-16-31-21(25-20)18-11-5-2-6-12-18/h1-6,9-12,16,19,24H,7-8,13-15H2,(H,26,27)(H2,23,28,29)/t19-/m0/s1
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n/an/a 790n/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))
BDBM50256946
PNG
((S)-benzyl 1-(4-tert-butylthiazol-2-ylamino)-1-oxo...)
Show SMILES CC(C)(C)c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C21H31N5O5S2/c1-21(2,3)17-14-32-19(25-17)26-18(27)16(11-7-8-12-23-33(22,29)30)24-20(28)31-13-15-9-5-4-6-10-15/h4-6,9-10,14,16,23H,7-8,11-13H2,1-3H3,(H,24,28)(H2,22,29,30)(H,25,26,27)/t16-/m0/s1
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n/an/a 840n/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))
BDBM50256995
PNG
((S)-benzyl 1-(4,5-diphenylthiazol-2-ylamino)-1-oxo...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H31N5O5S2/c30-41(37,38)31-19-11-10-18-24(32-29(36)39-20-21-12-4-1-5-13-21)27(35)34-28-33-25(22-14-6-2-7-15-22)26(40-28)23-16-8-3-9-17-23/h1-9,12-17,24,31H,10-11,18-20H2,(H,32,36)(H2,30,37,38)(H,33,34,35)/t24-/m0/s1
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n/an/a 850n/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))
BDBM50257170
PNG
((S)-benzyl 1-(2-(4-(2-(dimethylamino)ethoxy)phenyl...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(cs1)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H35N5O5S2/c1-31(2)16-17-35-22-13-11-21(12-14-22)25-29-24(19-37-25)23(10-6-7-15-28-38(27,33)34)30-26(32)36-18-20-8-4-3-5-9-20/h3-5,8-9,11-14,19,23,28H,6-7,10,15-18H2,1-2H3,(H,30,32)(H2,27,33,34)/t23-/m0/s1
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n/an/a 890n/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))
BDBM50257271
PNG
(CHEMBL493347 | N-(4-phenylthiazol-2-yl)-6-(sulfamo...)
Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H20N4O3S2/c16-24(21,22)17-10-6-2-5-9-14(20)19-15-18-13(11-23-15)12-7-3-1-4-8-12/h1,3-4,7-8,11,17H,2,5-6,9-10H2,(H2,16,21,22)(H,18,19,20)
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n/an/a 900n/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))
BDBM50257048
PNG
((S)-2-amino-N-(4-phenylthiazol-2-yl)-6-(sulfamoyla...)
Show SMILES N[C@@H](CCCCNS(N)(=O)=O)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H21N5O3S2/c16-12(8-4-5-9-18-25(17,22)23)14(21)20-15-19-13(10-24-15)11-6-2-1-3-7-11/h1-3,6-7,10,12,18H,4-5,8-9,16H2,(H2,17,22,23)(H,19,20,21)/t12-/m0/s1
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n/an/a 1.10E+3n/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))
BDBM50257131
PNG
((S)-benzyl 1-(4-phenylthiazol-2-yl)-5-(sulfamoylam...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H26N4O4S2/c23-32(28,29)24-14-8-7-13-19(26-22(27)30-15-17-9-3-1-4-10-17)21-25-20(16-31-21)18-11-5-2-6-12-18/h1-6,9-12,16,19,24H,7-8,13-15H2,(H,26,27)(H2,23,28,29)/t19-/m0/s1
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n/an/a 1.20E+3n/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))
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 1.20E+3n/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))
BDBM50257047
PNG
((S)-benzyl 1-(4-(4-isopropylphenyl)thiazol-2-ylami...)
Show SMILES CC(C)c1ccc(cc1)-c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C26H33N5O5S2/c1-18(2)20-11-13-21(14-12-20)23-17-37-25(29-23)31-24(32)22(10-6-7-15-28-38(27,34)35)30-26(33)36-16-19-8-4-3-5-9-19/h3-5,8-9,11-14,17-18,22,28H,6-7,10,15-16H2,1-2H3,(H,30,33)(H2,27,34,35)(H,29,31,32)/t22-/m0/s1
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n/an/a 1.40E+3n/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))
BDBM50257094
PNG
((S)-2-(phenylmethylsulfonamido)-N-(4-phenylthiazol...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H27N5O5S3/c23-35(31,32)24-14-8-7-13-19(27-34(29,30)16-17-9-3-1-4-10-17)21(28)26-22-25-20(15-33-22)18-11-5-2-6-12-18/h1-6,9-12,15,19,24,27H,7-8,13-14,16H2,(H2,23,31,32)(H,25,26,28)/t19-/m0/s1
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n/an/a 1.40E+3n/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))
BDBM50256944
PNG
((S)-pyridin-3-ylmethyl 1-oxo-1-(4-phenylthiazol-2-...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1cccnc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H26N6O5S2/c23-35(31,32)25-12-5-4-10-18(27-22(30)33-14-16-7-6-11-24-13-16)20(29)28-21-26-19(15-34-21)17-8-2-1-3-9-17/h1-3,6-9,11,13,15,18,25H,4-5,10,12,14H2,(H,27,30)(H2,23,31,32)(H,26,28,29)/t18-/m0/s1
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n/an/a 1.50E+3n/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))
BDBM50257172
PNG
((S)-benzyl 1-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN5O5S/c22-17-11-9-16(10-12-17)19-26-20(32-27-19)18(8-4-5-13-24-33(23,29)30)25-21(28)31-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18,24H,4-5,8,13-14H2,(H,25,28)(H2,23,29,30)/t18-/m0/s1
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n/an/a 1.70E+3n/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))
BDBM50257171
PNG
((S)-benzyl 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(su...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H25N5O5S/c22-32(28,29)23-14-8-7-13-18(24-21(27)30-15-16-9-3-1-4-10-16)20-26-25-19(31-20)17-11-5-2-6-12-17/h1-6,9-12,18,23H,7-8,13-15H2,(H,24,27)(H2,22,28,29)/t18-/m0/s1
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n/an/a 1.80E+3n/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))
BDBM50257226
PNG
((S)-benzyl 1-(1-methyl-5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES Cn1nc(nc1-c1ccccc1)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H28N6O4S/c1-28-21(18-12-6-3-7-13-18)26-20(27-28)19(14-8-9-15-24-33(23,30)31)25-22(29)32-16-17-10-4-2-5-11-17/h2-7,10-13,19,24H,8-9,14-16H2,1H3,(H,25,29)(H2,23,30,31)/t19-/m0/s1
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n/an/a 2.00E+3n/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))
BDBM50257092
PNG
((S)-N-(4-phenylthiazol-2-yl)-2-(3-phenylureido)-6-...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H26N6O4S2/c23-34(31,32)24-14-8-7-13-18(26-21(30)25-17-11-5-2-6-12-17)20(29)28-22-27-19(15-33-22)16-9-3-1-4-10-16/h1-6,9-12,15,18,24H,7-8,13-14H2,(H2,23,31,32)(H2,25,26,30)(H,27,28,29)/t18-/m0/s1
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n/an/a 2.30E+3n/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))
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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n/an/a 2.40E+3n/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))
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 2.50E+3n/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))
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 2.90E+3n/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))
BDBM50257171
PNG
((S)-benzyl 1-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(su...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H25N5O5S/c22-32(28,29)23-14-8-7-13-18(24-21(27)30-15-16-9-3-1-4-10-16)20-26-25-19(31-20)17-11-5-2-6-12-17/h1-6,9-12,18,23H,7-8,13-15H2,(H,24,27)(H2,22,28,29)/t18-/m0/s1
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n/an/a 3.20E+3n/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))
BDBM50256946
PNG
((S)-benzyl 1-(4-tert-butylthiazol-2-ylamino)-1-oxo...)
Show SMILES CC(C)(C)c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C21H31N5O5S2/c1-21(2,3)17-14-32-19(25-17)26-18(27)16(11-7-8-12-23-33(22,29)30)24-20(28)31-13-15-9-5-4-6-10-15/h4-6,9-10,14,16,23H,7-8,11-13H2,1-3H3,(H,24,28)(H2,22,29,30)(H,25,26,27)/t16-/m0/s1
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n/an/a 3.60E+3n/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))
BDBM50256889
PNG
((S)-benzyl 1-oxo-6-(sulfamoylamino)-1-(thiazol-2-y...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H23N5O5S2/c18-29(25,26)20-9-5-4-8-14(15(23)22-16-19-10-11-28-16)21-17(24)27-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,14,20H,4-5,8-9,12H2,(H,21,24)(H2,18,25,26)(H,19,22,23)/t14-/m0/s1
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n/an/a 4.10E+3n/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))
BDBM50257226
PNG
((S)-benzyl 1-(1-methyl-5-phenyl-1H-1,2,4-triazol-3...)
Show SMILES Cn1nc(nc1-c1ccccc1)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C22H28N6O4S/c1-28-21(18-12-6-3-7-13-18)26-20(27-28)19(14-8-9-15-24-33(23,30)31)25-22(29)32-16-17-10-4-2-5-11-17/h2-7,10-13,19,24H,8-9,14-16H2,1H3,(H,25,29)(H2,23,30,31)/t19-/m0/s1
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n/an/a 4.30E+3n/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))
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 4.50E+3n/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))
BDBM50257131
PNG
((S)-benzyl 1-(4-phenylthiazol-2-yl)-5-(sulfamoylam...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C22H26N4O4S2/c23-32(28,29)24-14-8-7-13-19(26-22(27)30-15-17-9-3-1-4-10-17)21-25-20(16-31-21)18-11-5-2-6-12-18/h1-6,9-12,16,19,24H,7-8,13-15H2,(H,26,27)(H2,23,28,29)/t19-/m0/s1
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n/an/a 4.90E+3n/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))
BDBM50257048
PNG
((S)-2-amino-N-(4-phenylthiazol-2-yl)-6-(sulfamoyla...)
Show SMILES N[C@@H](CCCCNS(N)(=O)=O)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H21N5O3S2/c16-12(8-4-5-9-18-25(17,22)23)14(21)20-15-19-13(10-24-15)11-6-2-1-3-7-11/h1-3,6-7,10,12,18H,4-5,8-9,16H2,(H2,17,22,23)(H,19,20,21)/t12-/m0/s1
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n/an/a>1.00E+4n/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))
BDBM50256889
PNG
((S)-benzyl 1-oxo-6-(sulfamoylamino)-1-(thiazol-2-y...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C17H23N5O5S2/c18-29(25,26)20-9-5-4-8-14(15(23)22-16-19-10-11-28-16)21-17(24)27-12-13-6-2-1-3-7-13/h1-3,6-7,10-11,14,20H,4-5,8-9,12H2,(H,21,24)(H2,18,25,26)(H,19,22,23)/t14-/m0/s1
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n/an/a>1.00E+4n/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))
BDBM50256994
PNG
((S)-ethyl 2-(2-(benzyloxycarbonylamino)-6-(sulfamo...)
Show SMILES CCOC(=O)c1csc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)n1
Show InChI InChI=1S/C20H27N5O7S2/c1-2-31-18(27)16-13-33-19(23-16)25-17(26)15(10-6-7-11-22-34(21,29)30)24-20(28)32-12-14-8-4-3-5-9-14/h3-5,8-9,13,15,22H,2,6-7,10-12H2,1H3,(H,24,28)(H2,21,29,30)(H,23,25,26)/t15-/m0/s1
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n/an/a>1.00E+4n/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))
BDBM50257172
PNG
((S)-benzyl 1-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5...)
Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN5O5S/c22-17-11-9-16(10-12-17)19-26-20(32-27-19)18(8-4-5-13-24-33(23,29)30)25-21(28)31-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18,24H,4-5,8,13-14H2,(H,25,28)(H2,23,29,30)/t18-/m0/s1
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n/an/a>1.00E+4n/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
* indicates data uncertainty>20%