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PubMed code 17307359

Compile data set for download or QSAR
Found 9 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))		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 90n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase


(Homo sapiens (Human))		BDBM19410
PNG
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50476577
PNG
(CHEMBL234193)
Show SMILES CCCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO
Show InChI InChI=1S/C18H28N2O3/c1-2-3-10-15(18(22)20-23)11-6-4-9-14-17(21)19-16-12-7-5-8-13-16/h5,7-8,12-13,15,23H,2-4,6,9-11,14H2,1H3,(H,19,21)(H,20,22)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50476575
PNG
(CHEMBL234214)
Show SMILES ONC(=O)C(CCCCCC(=O)Nc1ccccc1)CC#C
Show InChI InChI=1S/C17H22N2O3/c1-2-9-14(17(21)19-22)10-5-3-8-13-16(20)18-15-11-6-4-7-12-15/h1,4,6-7,11-12,14,22H,3,5,8-10,13H2,(H,18,20)(H,19,21)
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n/an/a 8.70E+4n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50476576
PNG
(CHEMBL392871)
Show SMILES CC(CCCCCC(=O)Nc1ccccc1)C(=O)NO
Show InChI InChI=1S/C15H22N2O3/c1-12(15(19)17-20)8-4-2-7-11-14(18)16-13-9-5-3-6-10-13/h3,5-6,9-10,12,20H,2,4,7-8,11H2,1H3,(H,16,18)(H,17,19)
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n/an/a 1.34E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50476578
PNG
(CHEMBL445670)
Show SMILES ONC(=O)C(CCCCCC(=O)Nc1ccccc1)CC=C
Show InChI InChI=1S/C17H24N2O3/c1-2-9-14(17(21)19-22)10-5-3-8-13-16(20)18-15-11-6-4-7-12-15/h2,4,6-7,11-12,14,22H,1,3,5,8-10,13H2,(H,18,20)(H,19,21)
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n/an/a 1.44E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50476573
PNG
(CHEMBL234192)
Show SMILES CCCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H26N2O3/c1-2-9-14(17(21)19-22)10-5-3-8-13-16(20)18-15-11-6-4-7-12-15/h4,6-7,11-12,14,22H,2-3,5,8-10,13H2,1H3,(H,18,20)(H,19,21)
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n/an/a 1.54E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50212245
PNG
(CHEMBL435160)
Show SMILES ONC(=O)C(CCCCCC(=O)Nc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C21H26N2O3/c24-20(22-19-13-7-3-8-14-19)15-9-2-6-12-18(21(25)23-26)16-17-10-4-1-5-11-17/h1,3-5,7-8,10-11,13-14,18,26H,2,6,9,12,15-16H2,(H,22,24)(H,23,25)
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n/an/a 2.26E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50476574
PNG
(CHEMBL234828)
Show SMILES CCC(CCCCCC(=O)Nc1ccccc1)C(=O)NO
Show InChI InChI=1S/C16H24N2O3/c1-2-13(16(20)18-21)9-5-3-8-12-15(19)17-14-10-6-4-7-11-14/h4,6-7,10-11,13,21H,2-3,5,8-9,12H2,1H3,(H,17,19)(H,18,20)
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n/an/a 4.49E+5n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of HDAC by fluorescent assay

Bioorg Med Chem Lett 17: 2216-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.117
BindingDB Entry DOI: 10.7270/Q2XP77QV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%