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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with all data for entry = 50005520   
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 2


(Homo sapiens (Human))
BDBM347461
PNG
(US9790158, 12)
Show SMILES Oc1cccc(cc1=O)C1CCCC1
Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
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0.0400n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50492541
PNG
(CHEMBL2408242)
Show SMILES Oc1cccc(cc1=O)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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0.0600n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50492540
PNG
(CHEMBL2408243)
Show SMILES COc1ccc(cc1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C14H12O3/c1-17-12-7-5-10(6-8-12)11-3-2-4-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)
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0.120n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM348884
PNG
(US9790158, 10)
Show SMILES CC(C)(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)
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0.130n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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0.220n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347454
PNG
(MO-OH-TM | US9790158, 5)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc(O)c1=O
Show InChI InChI=1S/C16H16O5/c1-19-13-9-8-11(15(20-2)16(13)21-3)10-6-4-5-7-12(17)14(10)18/h4-9H,1-3H3,(H,17,18)
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0.230n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347451
PNG
(MO-OH-NAP | US9790158, 2)
Show SMILES Oc1ccccc(-c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C17H12O2/c18-16-8-4-3-7-15(17(16)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,18,19)
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0.25n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347330
PNG
(MO-OH-PHE | US9790158, 1)
Show SMILES Oc1ccccc(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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0.260n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347453
PNG
(MO-OH-DM | US9790158, 4)
Show SMILES COc1ccc(OC)c(c1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C15H14O4/c1-18-10-7-8-14(19-2)12(9-10)11-5-3-4-6-13(16)15(11)17/h3-9H,1-2H3,(H,16,17)
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0.420n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347457
PNG
(US9790158, 8)
Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
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0.510n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347330
PNG
(MO-OH-PHE | US9790158, 1)
Show SMILES Oc1ccccc(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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0.530n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM347452
PNG
(MO-OH-SM | US9790158, 3)
Show SMILES COc1ccc(cc1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)
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0.810n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347330
PNG
(MO-OH-PHE | US9790158, 1)
Show SMILES Oc1ccccc(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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1.10n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50492541
PNG
(CHEMBL2408242)
Show SMILES Oc1cccc(cc1=O)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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1.5n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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2.30n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50492540
PNG
(CHEMBL2408243)
Show SMILES COc1ccc(cc1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C14H12O3/c1-17-12-7-5-10(6-8-12)11-3-2-4-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)
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2.40n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50492542
PNG
(CHEMBL2408248)
Show SMILES COc1cccc(cc1=O)C(C)C
Show InChI InChI=1S/C11H14O2/c1-8(2)9-5-4-6-11(13-3)10(12)7-9/h4-8H,1-3H3
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7.90n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM348884
PNG
(US9790158, 10)
Show SMILES CC(C)(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)
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13n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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Patents


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Article
PubMed
15n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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70n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347452
PNG
(MO-OH-SM | US9790158, 3)
Show SMILES COc1ccc(cc1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)
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84n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347461
PNG
(US9790158, 12)
Show SMILES Oc1cccc(cc1=O)C1CCCC1
Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
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123n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347454
PNG
(MO-OH-TM | US9790158, 5)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc(O)c1=O
Show InChI InChI=1S/C16H16O5/c1-19-13-9-8-11(15(20-2)16(13)21-3)10-6-4-5-7-12(17)14(10)18/h4-9H,1-3H3,(H,17,18)
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124n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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178n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347451
PNG
(MO-OH-NAP | US9790158, 2)
Show SMILES Oc1ccccc(-c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C17H12O2/c18-16-8-4-3-7-15(17(16)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,18,19)
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186n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347457
PNG
(US9790158, 8)
Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
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266n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(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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480n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM347330
PNG
(MO-OH-PHE | US9790158, 1)
Show SMILES Oc1ccccc(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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527n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM348884
PNG
(US9790158, 10)
Show SMILES CC(C)(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)
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806n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347453
PNG
(MO-OH-DM | US9790158, 4)
Show SMILES COc1ccc(OC)c(c1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C15H14O4/c1-18-10-7-8-14(19-2)12(9-10)11-5-3-4-6-13(16)15(11)17/h3-9H,1-2H3,(H,16,17)
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812n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347461
PNG
(US9790158, 12)
Show SMILES Oc1cccc(cc1=O)C1CCCC1
Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
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990n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM347330
PNG
(MO-OH-PHE | US9790158, 1)
Show SMILES Oc1ccccc(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50492542
PNG
(CHEMBL2408248)
Show SMILES COc1cccc(cc1=O)C(C)C
Show InChI InChI=1S/C11H14O2/c1-8(2)9-5-4-6-11(13-3)10(12)7-9/h4-8H,1-3H3
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM347457
PNG
(US9790158, 8)
Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50492541
PNG
(CHEMBL2408242)
Show SMILES Oc1cccc(cc1=O)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM347452
PNG
(MO-OH-SM | US9790158, 3)
Show SMILES COc1ccc(cc1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM347451
PNG
(MO-OH-NAP | US9790158, 2)
Show SMILES Oc1ccccc(-c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C17H12O2/c18-16-8-4-3-7-15(17(16)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,18,19)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM347453
PNG
(MO-OH-DM | US9790158, 4)
Show SMILES COc1ccc(OC)c(c1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C15H14O4/c1-18-10-7-8-14(19-2)12(9-10)11-5-3-4-6-13(16)15(11)17/h3-9H,1-2H3,(H,16,17)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50330794
PNG
(2-Hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone | ...)
Show SMILES CC(C)c1cccc(=O)c(O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM347454
PNG
(MO-OH-TM | US9790158, 5)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc(O)c1=O
Show InChI InChI=1S/C16H16O5/c1-19-13-9-8-11(15(20-2)16(13)21-3)10-6-4-5-7-12(17)14(10)18/h4-9H,1-3H3,(H,17,18)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM347457
PNG
(US9790158, 8)
Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50492540
PNG
(CHEMBL2408243)
Show SMILES COc1ccc(cc1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C14H12O3/c1-17-12-7-5-10(6-8-12)11-3-2-4-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50492542
PNG
(CHEMBL2408248)
Show SMILES COc1cccc(cc1=O)C(C)C
Show InChI InChI=1S/C11H14O2/c1-8(2)9-5-4-6-11(13-3)10(12)7-9/h4-8H,1-3H3
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM348884
PNG
(US9790158, 10)
Show SMILES CC(C)(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)
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>2.50E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)


Article DOI: 10.1021/ml400158k
BindingDB Entry DOI: 10.7270/Q28055HS
More data for this
Ligand-Target Pair
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