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PubMed code 15109636

Compile data set for download or QSAR
Found 14 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


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223405
PNG
(CHEMBL316183)
Show SMILES C\C(\C=C\C(=O)NO)=C/c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H17ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h2-12,21,23H,1H3,(H,20,22)/b11-2+,13-12+
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Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223410
PNG
(CHEMBL82931)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C(/C)\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C19H20N2O5S/c1-14(3-12-19(22)20-23)13-15-4-6-16(7-5-15)21-27(24,25)18-10-8-17(26-2)9-11-18/h3-13,21,23H,1-2H3,(H,20,22)/b12-3+,14-13+
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Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223409
PNG
(CHEMBL314643)
Show SMILES C\C(\C=C\C(=O)NO)=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H18N2O4S/c1-14(7-12-18(21)19-22)13-15-8-10-16(11-9-15)20-25(23,24)17-5-3-2-4-6-17/h2-13,20,22H,1H3,(H,19,21)/b12-7+,14-13+
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Article
PubMed
n/an/a 172n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223408
PNG
(CHEMBL312098)
Show SMILES ONC(=O)\C=C\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClNO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(14)13-15/h1-8,15H,(H,13,14)/b3-1+,4-2+
PDB

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Article
PubMed
n/an/a 252n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223416
PNG
(CHEMBL84395)
Show SMILES ONC(=O)\C=C\C=C\c1ccccc1
Show InChI InChI=1S/C11H11NO2/c13-11(12-14)9-5-4-8-10-6-2-1-3-7-10/h1-9,14H,(H,12,13)/b8-4+,9-5+
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Article
PubMed
n/an/a 279n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223411
PNG
(CHEMBL81522)
Show SMILES C\C(\C=C\C(=O)NO)=C/c1ccc(Cl)cc1
Show InChI InChI=1S/C12H12ClNO2/c1-9(2-7-12(15)14-16)8-10-3-5-11(13)6-4-10/h2-8,16H,1H3,(H,14,15)/b7-2+,9-8+
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Article
PubMed
n/an/a 302n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223407
PNG
(CHEMBL82989)
Show SMILES CN(C)c1ccc(\C=C(/C)\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C14H18N2O2/c1-11(4-9-14(17)15-18)10-12-5-7-13(8-6-12)16(2)3/h4-10,18H,1-3H3,(H,15,17)/b9-4+,11-10+
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Article
PubMed
n/an/a 788n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223406
PNG
(CHEMBL312400)
Show SMILES CC(CCC(=O)NO)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H21ClN2O4S/c1-13(2-11-18(22)20-23)12-14-3-7-16(8-4-14)21-26(24,25)17-9-5-15(19)6-10-17/h3-10,13,21,23H,2,11-12H2,1H3,(H,20,22)
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Article
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223414
PNG
(CHEMBL83750)
Show SMILES CN(C)c1ccc(\C=C\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C13H16N2O2/c1-15(2)12-9-7-11(8-10-12)5-3-4-6-13(16)14-17/h3-10,17H,1-2H3,(H,14,16)/b5-3+,6-4+
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/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/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223412
PNG
(CHEMBL84288)
Show SMILES ONC(=O)CCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C11H14ClNO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(14)13-15/h5-8,15H,1-4H2,(H,13,14)
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Article
PubMed
n/an/a 2.58E+3n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223413
PNG
(CHEMBL82382)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(\C=C\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C18H18N2O5S/c1-25-16-10-12-17(13-11-16)26(23,24)20-15-8-6-14(7-9-15)4-2-3-5-18(21)19-22/h2-13,20,22H,1H3,(H,19,21)/b4-2+,5-3+
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Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50223415
PNG
(CHEMBL312253)
Show SMILES C\C(\C=C\C(O)=O)=C/c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H16ClNO4S/c1-13(2-11-18(21)22)12-14-3-7-16(8-4-14)20-25(23,24)17-9-5-15(19)6-10-17/h2-12,20H,1H3,(H,21,22)/b11-2+,13-12+
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London WC1H OAJ, UK. c.m.marson@ucl.ac.uk

Curated by ChEMBL


Assay Description
Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract


Bioorg Med Chem Lett 14: 2477-81 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.012
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%