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PubMed code 21417419

Compile data set for download or QSAR
Found 5 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 3/NCoR1


(Homo sapiens (human))
BDBM50361444
PNG
(CHEMBL1938433)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)
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Article
PubMed
n/an/a 9.40n/an/an/an/an/an/a



DAC SRL

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay


J Med Chem 54: 3051-64 (2011)


Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50361444
PNG
(CHEMBL1938433)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)
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Article
PubMed
n/an/a 25.7n/an/an/an/an/an/a



DAC SRL

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay


J Med Chem 54: 3051-64 (2011)


Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50361444
PNG
(CHEMBL1938433)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)
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PubMed
n/an/a 93.8n/an/an/an/an/an/a



DAC SRL

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay


J Med Chem 54: 3051-64 (2011)


Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50361444
PNG
(CHEMBL1938433)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)
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PubMed
n/an/a 127n/an/an/an/an/an/a



DAC SRL

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay


J Med Chem 54: 3051-64 (2011)


Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50361444
PNG
(CHEMBL1938433)
Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)
PDB
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Article
PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



DAC SRL

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay


J Med Chem 54: 3051-64 (2011)


Article DOI: 10.1021/jm200146u
BindingDB Entry DOI: 10.7270/Q21V5FD6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%