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PubMed code 19822426

Compile data set for download or QSAR
Found 4 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))		BDBM50302945
PNG
(CHEMBL584273 | N-hydroxy-4-(((2-(p-tolyloxy)ethyl)...)
Show SMILES Cc1ccc(OCCN(Cc2ccc(cc2)C(=O)NO)c2ncc(s2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H27N3O3S/c1-19-3-9-22(10-4-19)25-17-28-27(34-25)30(15-16-33-24-13-5-20(2)6-14-24)18-21-7-11-23(12-8-21)26(31)29-32/h3-14,17,32H,15-16,18H2,1-2H3,(H,29,31)
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n/an/a 1.05E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in baculovirus

Bioorg Med Chem Lett 19: 6284-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.100
BindingDB Entry DOI: 10.7270/Q21J99TB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50302946
PNG
(CHEMBL586040 | N-hydroxy-4-(((2-phenoxyethyl)(5-p-...)
Show SMILES Cc1ccc(cc1)-c1cnc(s1)N(CCOc1ccccc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H25N3O3S/c1-19-7-11-21(12-8-19)24-17-27-26(33-24)29(15-16-32-23-5-3-2-4-6-23)18-20-9-13-22(14-10-20)25(30)28-31/h2-14,17,31H,15-16,18H2,1H3,(H,28,30)
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n/an/a 2.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 expressed in baculovirus

Bioorg Med Chem Lett 19: 6284-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.100
BindingDB Entry DOI: 10.7270/Q21J99TB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM50302946
PNG
(CHEMBL586040 | N-hydroxy-4-(((2-phenoxyethyl)(5-p-...)
Show SMILES Cc1ccc(cc1)-c1cnc(s1)N(CCOc1ccccc1)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C26H25N3O3S/c1-19-7-11-21(12-8-19)24-17-27-26(33-24)29(15-16-32-23-5-3-2-4-6-23)18-20-9-13-22(14-10-20)25(30)28-31/h2-14,17,31H,15-16,18H2,1H3,(H,28,30)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his tagged HDAC4 expressed in baculovirus

Bioorg Med Chem Lett 19: 6284-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.100
BindingDB Entry DOI: 10.7270/Q21J99TB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM50302945
PNG
(CHEMBL584273 | N-hydroxy-4-(((2-(p-tolyloxy)ethyl)...)
Show SMILES Cc1ccc(OCCN(Cc2ccc(cc2)C(=O)NO)c2ncc(s2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H27N3O3S/c1-19-3-9-22(10-4-19)25-17-28-27(34-25)30(15-16-33-24-13-5-20(2)6-14-24)18-21-7-11-23(12-8-21)26(31)29-32/h3-14,17,32H,15-16,18H2,1-2H3,(H,29,31)
PDB
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KEGG

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PC cid
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant his tagged HDAC4 expressed in baculovirus

Bioorg Med Chem Lett 19: 6284-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.100
BindingDB Entry DOI: 10.7270/Q21J99TB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%