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PubMed code 25905694

Compile data set for download or QSAR
Found 24 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 6


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a 7n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 10n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a 20n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC10 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 80n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC11 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a 100n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a 110n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 610n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a 610n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.42E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.77E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC10 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 8.77E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 9.37E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
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n/an/a 9.80E+3n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin)


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.02E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC11 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.06E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50087841
PNG
(CHEMBL3426804)
Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)C(Cc2ccccc2)c2ccccc2)cn1
Show InChI InChI=1/C23H21N3O3/c27-22(26-29)14-13-19-11-12-20(16-24-19)25-23(28)21(18-9-5-2-6-10-18)15-17-7-3-1-4-8-17/h1-14,16,21,29H,15H2,(H,25,28)(H,26,27)/b14-13+
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n/an/a 1.17E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50309831
PNG
(10-Phenyl-7-oxa-8,10-diaza-benzo[a]anthracene-9,11...)
Show SMILES O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C21H12N2O3/c24-20-17-12-16-15-9-5-4-6-13(15)10-11-18(16)26-19(17)22-21(25)23(20)14-7-2-1-3-8-14/h1-12H
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n/an/a 1.23E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of SIRT2 (unknown origin)


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
PDB
MMDB

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n/an/a>5.00E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50087845
PNG
(CHEMBL3426803)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O3S/c25-19(24-27)8-4-5-13-28-21-22-18(14-20(26)23-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,27H,4-5,8,13H2,(H,24,25)(H,22,23,26)
PDB
MMDB

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n/an/a>5.00E+4n/an/an/an/an/an/a



Istituto Ortopedico Rizzoli (IOR)

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 (unknown origin) by homogeneous fluorescence release assay


J Med Chem 58: 4073-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00126
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%