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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50034164   
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))
BDBM50358130
PNG
(CHEMBL1923808)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H19FN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)
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n/an/a 9n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC1 using fluorophore conjugated substrate by fluorescence assay


J Med Chem 54: 5576-82 (2011)


Article DOI: 10.1021/jm200620f
BindingDB Entry DOI: 10.7270/Q2JW8F90
More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 9.70n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC1 using fluorophore conjugated substrate by fluorescence assay


J Med Chem 54: 5576-82 (2011)


Article DOI: 10.1021/jm200620f
BindingDB Entry DOI: 10.7270/Q2JW8F90
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50358130
PNG
(CHEMBL1923808)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H19FN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)
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n/an/a 12.7n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC2 using fluorophore conjugated substrate by fluorescence assay


J Med Chem 54: 5576-82 (2011)


Article DOI: 10.1021/jm200620f
BindingDB Entry DOI: 10.7270/Q2JW8F90
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 16n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC2 using fluorophore conjugated substrate by fluorescence assay


J Med Chem 54: 5576-82 (2011)


Article DOI: 10.1021/jm200620f
BindingDB Entry DOI: 10.7270/Q2JW8F90
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(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 21.8n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC3 using fluorophore conjugated substrate by fluorescence assay


J Med Chem 54: 5576-82 (2011)


Article DOI: 10.1021/jm200620f
BindingDB Entry DOI: 10.7270/Q2JW8F90
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50358130
PNG
(CHEMBL1923808)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H19FN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)
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n/an/a 23.9n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC3 using fluorophore conjugated substrate by fluorescence assay


J Med Chem 54: 5576-82 (2011)


Article DOI: 10.1021/jm200620f
BindingDB Entry DOI: 10.7270/Q2JW8F90
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50358130
PNG
(CHEMBL1923808)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H19FN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)
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n/an/a 50.2n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC6 using fluorophore conjugated substrate by fluorescence assay


J Med Chem 54: 5576-82 (2011)


Article DOI: 10.1021/jm200620f
BindingDB Entry DOI: 10.7270/Q2JW8F90
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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 57.3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length HDAC6 using fluorophore conjugated substrate by fluorescence assay


J Med Chem 54: 5576-82 (2011)


Article DOI: 10.1021/jm200620f
BindingDB Entry DOI: 10.7270/Q2JW8F90
More data for this
Ligand-Target Pair