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PubMed code 17904843

Compile data set for download or QSAR
Found 20 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))
BDBM50477734
PNG
(CHEMBL428054)
Show SMILES ONC(=O)CCC1=CCCN(CCCc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C21H24N2O3/c24-20(22-26)12-11-18-8-4-14-23(21(18)25)13-3-5-16-9-10-17-6-1-2-7-19(17)15-16/h1-2,6-10,15,26H,3-5,11-14H2,(H,22,24)
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n/an/a 30n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477744
PNG
(CHEMBL249993)
Show SMILES ONC(=O)CCC1=CCCN(CCc2ccc3ccccc3c2)C1=O |t:6|
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)10-9-17-6-3-12-22(20(17)24)13-11-15-7-8-16-4-1-2-5-18(16)14-15/h1-2,4-8,14,25H,3,9-13H2,(H,21,23)
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n/an/a 37n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477742
PNG
(CHEMBL250396)
Show SMILES ONC(=O)CCC1=CCCN(CCCCc2cccc3ccccc23)C1=O |t:6|
Show InChI InChI=1S/C22H26N2O3/c25-21(23-27)14-13-19-11-6-16-24(22(19)26)15-4-3-8-18-10-5-9-17-7-1-2-12-20(17)18/h1-2,5,7,9-12,27H,3-4,6,8,13-16H2,(H,23,25)
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n/an/a 110n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
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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PubMed
n/an/a 110n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))
BDBM50477741
PNG
(CHEMBL250195)
Show SMILES ONC(=O)CCC1=CCCN(CCCCc2ccc(cc2)-c2ccccc2)C1=O |t:6|
Show InChI InChI=1S/C24H28N2O3/c27-23(25-29)16-15-22-10-6-18-26(24(22)28)17-5-4-7-19-11-13-21(14-12-19)20-8-2-1-3-9-20/h1-3,8-14,29H,4-7,15-18H2,(H,25,27)
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n/an/a 200n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477749
PNG
(CHEMBL249580)
Show SMILES ONC(=O)CCC1=CCCN(CCc2ccc(cc2)-c2ccccc2)C1=O |t:6|
Show InChI InChI=1S/C22H24N2O3/c25-21(23-27)13-12-20-7-4-15-24(22(20)26)16-14-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-3,5-11,27H,4,12-16H2,(H,23,25)
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n/an/a 230n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477743
PNG
(CHEMBL249382)
Show SMILES ONC(=O)CCC1=CCCN(Cc2ccc(cc2)[N+]([O-])=O)C1=O |t:6|
Show InChI InChI=1S/C15H17N3O5/c19-14(16-21)8-5-12-2-1-9-17(15(12)20)10-11-3-6-13(7-4-11)18(22)23/h2-4,6-7,21H,1,5,8-10H2,(H,16,19)
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n/an/a 230n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477747
PNG
(CHEMBL250193)
Show SMILES ONC(=O)CCC1=CCCN(CCCc2ccc(cc2)-c2ccccc2)C1=O |t:6|
Show InChI InChI=1S/C23H26N2O3/c26-22(24-28)15-14-21-9-5-17-25(23(21)27)16-4-6-18-10-12-20(13-11-18)19-7-2-1-3-8-19/h1-3,7-13,28H,4-6,14-17H2,(H,24,26)
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n/an/a 270n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477748
PNG
(CHEMBL400139)
Show SMILES ONC(=O)CCC1=CCCN(CCc2cccc3ccccc23)C1=O |t:6|
Show InChI InChI=1S/C20H22N2O3/c23-19(21-25)11-10-17-8-4-13-22(20(17)24)14-12-16-7-3-6-15-5-1-2-9-18(15)16/h1-3,5-9,25H,4,10-14H2,(H,21,23)
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n/an/a 320n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477739
PNG
(CHEMBL250476)
Show SMILES COc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)cc1 |t:10|
Show InChI InChI=1S/C16H20N2O4/c1-22-14-7-4-12(5-8-14)11-18-10-2-3-13(16(18)20)6-9-15(19)17-21/h3-5,7-8,21H,2,6,9-11H2,1H3,(H,17,19)
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n/an/a 440n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477737
PNG
(CHEMBL250676)
Show SMILES ONC(=O)CCC1=CCCN(Cc2ccc(Br)cc2)C1=O |t:6|
Show InChI InChI=1S/C15H17BrN2O3/c16-13-6-3-11(4-7-13)10-18-9-1-2-12(15(18)20)5-8-14(19)17-21/h2-4,6-7,21H,1,5,8-10H2,(H,17,19)
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n/an/a 450n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477752
PNG
(CHEMBL399347)
Show SMILES ONC(=O)CCC1=CCCN(Cc2ccc(NC(=O)c3ccccc3)cc2)C1=O |t:6|
Show InChI InChI=1S/C22H23N3O4/c26-20(24-29)13-10-18-7-4-14-25(22(18)28)15-16-8-11-19(12-9-16)23-21(27)17-5-2-1-3-6-17/h1-3,5-9,11-12,29H,4,10,13-15H2,(H,23,27)(H,24,26)
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n/an/a 510n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477751
PNG
(CHEMBL251033)
Show SMILES ONC(=O)CCC1=CCCN(Cc2ccc(F)cc2)C1=O |t:6|
Show InChI InChI=1S/C15H17FN2O3/c16-13-6-3-11(4-7-13)10-18-9-1-2-12(15(18)20)5-8-14(19)17-21/h2-4,6-7,21H,1,5,8-10H2,(H,17,19)
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n/an/a 560n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477735
PNG
(CHEMBL250398)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)cc1 |t:20|
Show InChI InChI=1S/C22H25N3O5S/c1-16-4-11-20(12-5-16)31(29,30)24-19-9-6-17(7-10-19)15-25-14-2-3-18(22(25)27)8-13-21(26)23-28/h3-7,9-12,24,28H,2,8,13-15H2,1H3,(H,23,26)
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n/an/a 590n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477746
PNG
(CHEMBL250397)
Show SMILES CC(=O)Nc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)cc1 |t:12|
Show InChI InChI=1S/C17H21N3O4/c1-12(21)18-15-7-4-13(5-8-15)11-20-10-2-3-14(17(20)23)6-9-16(22)19-24/h3-5,7-8,24H,2,6,9-11H2,1H3,(H,18,21)(H,19,22)
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n/an/a 820n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477736
PNG
(CHEMBL249223)
Show SMILES COc1ccccc1CN1CCC=C(CCC(=O)NO)C1=O |t:13|
Show InChI InChI=1S/C16H20N2O4/c1-22-14-7-3-2-5-13(14)11-18-10-4-6-12(16(18)20)8-9-15(19)17-21/h2-3,5-7,21H,4,8-11H2,1H3,(H,17,19)
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n/an/a 860n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477745
PNG
(CHEMBL251413)
Show SMILES Cc1cccc(CN2CCC=C(CCC(=O)NO)C2=O)c1 |t:10|
Show InChI InChI=1S/C16H20N2O3/c1-12-4-2-5-13(10-12)11-18-9-3-6-14(16(18)20)7-8-15(19)17-21/h2,4-6,10,21H,3,7-9,11H2,1H3,(H,17,19)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477740
PNG
(CHEMBL398324)
Show SMILES COc1cccc(CN2CCC=C(CCC(=O)NO)C2=O)c1 |t:11|
Show InChI InChI=1S/C16H20N2O4/c1-22-14-6-2-4-12(10-14)11-18-9-3-5-13(16(18)20)7-8-15(19)17-21/h2,4-6,10,21H,3,7-9,11H2,1H3,(H,17,19)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477750
PNG
(CHEMBL399727)
Show SMILES Cc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)cc1 |t:9|
Show InChI InChI=1S/C16H20N2O3/c1-12-4-6-13(7-5-12)11-18-10-2-3-14(16(18)20)8-9-15(19)17-21/h3-7,21H,2,8-11H2,1H3,(H,17,19)
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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50477738
PNG
(CHEMBL250028)
Show SMILES Cc1ccccc1CN1CCC=C(CCC(=O)NO)C1=O |t:12|
Show InChI InChI=1S/C16H20N2O3/c1-12-5-2-3-6-14(12)11-18-10-4-7-13(16(18)20)8-9-15(19)17-21/h2-3,5-7,21H,4,8-11H2,1H3,(H,17,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.97E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cell lysates


Bioorg Med Chem Lett 17: 6234-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.034
BindingDB Entry DOI: 10.7270/Q2RN3BMB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%