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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'miceli' and Initial = 'm'   
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
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50270003
PNG
(CHEMBL4075458)
Show SMILES O=C1C=Cc2c(c(cn2S(=O)(=O)c2ccccc2)-c2ccccc2)C1=O |c:2|
Show InChI InChI=1S/C20H13NO4S/c22-18-12-11-17-19(20(18)23)16(14-7-3-1-4-8-14)13-21(17)26(24,25)15-9-5-2-6-10-15/h1-13H
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13n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50269995
PNG
(CHEMBL4064932)
Show SMILES COc1ccc(SC2=CC(=O)C(=O)c3c(cn(c23)S(=O)(=O)c2ccccc2)-c2ccccc2)cc1 |t:7|
Show InChI InChI=1S/C27H19NO5S2/c1-33-19-12-14-20(15-13-19)34-24-16-23(29)27(30)25-22(18-8-4-2-5-9-18)17-28(26(24)25)35(31,32)21-10-6-3-7-11-21/h2-17H,1H3
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15n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50269992
PNG
(CHEMBL4095060)
Show SMILES COc1ccc(cc1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:9|
Show InChI InChI=1S/C27H19NO5S/c1-33-20-14-12-19(13-15-20)22-16-24(29)27(30)25-23(18-8-4-2-5-9-18)17-28(26(22)25)34(31,32)21-10-6-3-7-11-21/h2-17H,1H3
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41n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50269999
PNG
(CHEMBL4100171)
Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:17|
Show InChI InChI=1S/C20H12FNO4S/c21-14-6-8-15(9-7-14)27(25,26)22-12-16(13-4-2-1-3-5-13)19-17(22)10-11-18(23)20(19)24/h1-12H
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48n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50423877
PNG
(DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...)
Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 |r,c:4|
Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
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50n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50269991
PNG
(CHEMBL4105230)
Show SMILES COc1cccc(c1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:9|
Show InChI InChI=1S/C27H19NO5S/c1-33-20-12-8-11-19(15-20)22-16-24(29)27(30)25-23(18-9-4-2-5-10-18)17-28(26(22)25)34(31,32)21-13-6-3-7-14-21/h2-17H,1H3
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55n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50270012
PNG
(CHEMBL4073526)
Show SMILES CS(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:10|
Show InChI InChI=1S/C15H11NO4S/c1-21(19,20)16-9-11(10-5-3-2-4-6-10)14-12(16)7-8-13(17)15(14)18/h2-9H,1H3
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56n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50269996
PNG
(CHEMBL4094161)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:20|
Show InChI InChI=1S/C22H16N2O5S/c1-14(25)23-16-7-9-17(10-8-16)30(28,29)24-13-18(15-5-3-2-4-6-15)21-19(24)11-12-20(26)22(21)27/h2-13H,1H3,(H,23,25)
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81n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50270007
PNG
(CHEMBL4067653)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:10|
Show InChI InChI=1S/C26H16N2O6S/c29-23-15-21(18-11-13-19(14-12-18)28(31)32)25-24(26(23)30)22(17-7-3-1-4-8-17)16-27(25)35(33,34)20-9-5-2-6-10-20/h1-16H
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>100n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50269997
PNG
(CHEMBL4092808)
Show SMILES Fc1cccc(c1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:17|
Show InChI InChI=1S/C20H12FNO4S/c21-14-7-4-8-15(11-14)27(25,26)22-12-16(13-5-2-1-3-6-13)19-17(22)9-10-18(23)20(19)24/h1-12H
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>100n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50270013
PNG
(CHEMBL4081086)
Show SMILES [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1cc(c2c1C=CC(=O)C2=O)-c1ccccc1 |c:19|
Show InChI InChI=1S/C20H12N2O6S/c23-18-10-9-17-19(20(18)24)16(13-5-2-1-3-6-13)12-21(17)29(27,28)15-8-4-7-14(11-15)22(25)26/h1-12H
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>100n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50269994
PNG
(CHEMBL4102819)
Show SMILES O=C1C=C(c2c(c(cn2S(=O)(=O)c2ccccc2)-c2ccccc2)C1=O)c1ccccc1 |c:2|
Show InChI InChI=1S/C26H17NO4S/c28-23-16-21(18-10-4-1-5-11-18)25-24(26(23)29)22(19-12-6-2-7-13-19)17-27(25)32(30,31)20-14-8-3-9-15-20/h1-17H
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>100n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50270014
PNG
(CHEMBL4076484)
Show SMILES CN(C)c1ccc(cc1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:14|
Show InChI InChI=1S/C22H18N2O4S/c1-23(2)16-10-8-15(9-11-16)18-14-24(19-12-13-20(25)22(26)21(18)19)29(27,28)17-6-4-3-5-7-17/h3-14H,1-2H3
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>100n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50270001
PNG
(CHEMBL4075620)
Show SMILES COc1cccc(c1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C21H15NO5S/c1-27-15-7-5-6-14(12-15)17-13-22(18-10-11-19(23)21(24)20(17)18)28(25,26)16-8-3-2-4-9-16/h2-13H,1H3
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>200n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50269990
PNG
(CHEMBL4070465)
Show SMILES CC1=CC(=O)C(=O)c2c(cn(c12)S(=O)(=O)c1ccccc1)-c1ccccc1 |t:1|
Show InChI InChI=1S/C21H15NO4S/c1-14-12-18(23)21(24)19-17(15-8-4-2-5-9-15)13-22(20(14)19)27(25,26)16-10-6-3-7-11-16/h2-13H,1H3
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>200n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50270002
PNG
(CHEMBL4077265)
Show SMILES COc1ccc(cc1)-c1cn(c2C=CC(=O)C(=O)c12)S(=O)(=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C21H15NO5S/c1-27-15-9-7-14(8-10-15)17-13-22(18-11-12-19(23)21(24)20(17)18)28(25,26)16-5-3-2-4-6-16/h2-13H,1H3
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>200n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
ELAV-like protein 1


(Homo sapiens (Human))
BDBM50270004
PNG
(CHEMBL4073683)
Show SMILES O=C1c2c(cn(c2C2=C(C3CCC2C=C3)C1=O)S(=O)(=O)c1ccccc1)-c1ccccc1 |c:15,t:8|
Show InChI InChI=1S/C26H19NO4S/c28-25-22-18-13-11-17(12-14-18)21(22)24-23(26(25)29)20(16-7-3-1-4-8-16)15-27(24)32(30,31)19-9-5-2-6-10-19/h1-11,13,15,17-18H,12,14H2
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>300n/an/an/an/an/an/an/an/a



Institute of Molecular Science and Technology (ISTM)

Curated by ChEMBL


Assay Description
Binding affinity to human full length recombinant His-tagged HuR expressed in Escherichia coli Rosetta DH5alpha assessed as inhibition of interaction...


J Med Chem 61: 1483-1498 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01176
BindingDB Entry DOI: 10.7270/Q2Q81GKP
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 0.400n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 1.80n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
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/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 7n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50234055
PNG
(CHEMBL217494 | N-hydroxy-5-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O3S/c19-13(18-21)8-4-5-9-22-15-16-12(10-14(20)17-15)11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H,18,19)(H,16,17,20)
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n/an/a 8n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195608
PNG
(CHEMBL217791 | N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1...)
Show SMILES CC(c1ccccc1)c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C18H23N3O3S/c1-13(14-8-4-2-5-9-14)15-12-17(23)20-18(19-15)25-11-7-3-6-10-16(22)21-24/h2,4-5,8-9,12-13,24H,3,6-7,10-11H2,1H3,(H,21,22)(H,19,20,23)
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n/an/a 9n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50234055
PNG
(CHEMBL217494 | N-hydroxy-5-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O3S/c19-13(18-21)8-4-5-9-22-15-16-12(10-14(20)17-15)11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H,18,19)(H,16,17,20)
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n/an/a 10n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50234054
PNG
(6-(6-Oxo-4-phenyl-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O3S/c20-14(19-22)9-5-2-6-10-23-16-17-13(11-15(21)18-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2,(H,19,20)(H,17,18,21)
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n/an/a 12n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195605
PNG
(CHEMBL214533 | N-hydroxy-3-(3,4-dihydro-6-phenyl-4...)
Show SMILES ONC(=O)C=Cc1cccc(CSc2nc(cc(=O)[nH]2)-c2ccccc2)c1 |w:5.5|
Show InChI InChI=1S/C20H17N3O3S/c24-18(23-26)10-9-14-5-4-6-15(11-14)13-27-20-21-17(12-19(25)22-20)16-7-2-1-3-8-16/h1-12,26H,13H2,(H,23,24)(H,21,22,25)
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n/an/a 17n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50234114
PNG
(6-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)9-5-2-6-10-24-17-18-14(12-16(22)19-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,23H,2,5-6,9-11H2,(H,20,21)(H,18,19,22)
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n/an/a 18n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50234114
PNG
(6-(4-Benzyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)9-5-2-6-10-24-17-18-14(12-16(22)19-17)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,23H,2,5-6,9-11H2,(H,20,21)(H,18,19,22)
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n/an/a 18n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50234054
PNG
(6-(6-Oxo-4-phenyl-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O3S/c20-14(19-22)9-5-2-6-10-23-16-17-13(11-15(21)18-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2,(H,19,20)(H,17,18,21)
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n/an/a 19n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195609
PNG
(CHEMBL216147 | N-hydroxy-4-(3,4-dihydro-6-phenyl-4...)
Show SMILES ONC(=O)C=Cc1ccc(CSc2nc(cc(=O)[nH]2)-c2ccccc2)cc1 |w:5.5|
Show InChI InChI=1S/C20H17N3O3S/c24-18(23-26)11-10-14-6-8-15(9-7-14)13-27-20-21-17(12-19(25)22-20)16-4-2-1-3-5-16/h1-12,26H,13H2,(H,23,24)(H,21,22,25)
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n/an/a 23n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195612
PNG
(CHEMBL384013 | N-hydroxy-4-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C14H15N3O3S/c18-12(17-20)7-4-8-21-14-15-11(9-13(19)16-14)10-5-2-1-3-6-10/h1-3,5-6,9,20H,4,7-8H2,(H,17,18)(H,15,16,19)
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n/an/a 27n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
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 28n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047966
PNG
(CHEMBL3314860)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2c[nH]c3ccccc23)o1
Show InChI InChI=1S/C20H16N4O3/c25-18(24-26)10-7-13-5-8-14(9-6-13)20-23-22-19(27-20)11-15-12-21-17-4-2-1-3-16(15)17/h1-10,12,21,26H,11H2,(H,24,25)/b10-7+
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n/an/a 30n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50047967
PNG
(CHEMBL3314861)
Show SMILES ONC(=O)\C=C\c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
Show InChI InChI=1S/C23H19N3O3/c27-21(26-28)13-12-16-8-10-17(11-9-16)14-22-24-25-23(29-22)15-19-6-3-5-18-4-1-2-7-20(18)19/h1-13,28H,14-15H2,(H,26,27)/b13-12+
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n/an/a 30n/an/an/an/an/a25



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 pre-incubated at room temperature for 15 min before substrate addition by fluorimetric assay


J Med Chem 57: 6259-65 (2014)


Article DOI: 10.1021/jm500303u
BindingDB Entry DOI: 10.7270/Q2KK9DFZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50195614
PNG
(CHEMBL216064 | N-hydroxy-6-[(3,4-dihydro-4-oxo-6-(...)
Show SMILES CCC(c1ccccc1)c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H25N3O3S/c1-2-15(14-9-5-3-6-10-14)16-13-18(24)21-19(20-16)26-12-8-4-7-11-17(23)22-25/h3,5-6,9-10,13,15,25H,2,4,7-8,11-12H2,1H3,(H,22,23)(H,20,21,24)
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n/an/a 31n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50195612
PNG
(CHEMBL384013 | N-hydroxy-4-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C14H15N3O3S/c18-12(17-20)7-4-8-21-14-15-11(9-13(19)16-14)10-5-2-1-3-6-10/h1-3,5-6,9,20H,4,7-8H2,(H,17,18)(H,15,16,19)
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n/an/a 31n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195614
PNG
(CHEMBL216064 | N-hydroxy-6-[(3,4-dihydro-4-oxo-6-(...)
Show SMILES CCC(c1ccccc1)c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C19H25N3O3S/c1-2-15(14-9-5-3-6-10-14)16-13-18(24)21-19(20-16)26-12-8-4-7-11-17(23)22-25/h3,5-6,9-10,13,15,25H,2,4,7-8,11-12H2,1H3,(H,22,23)(H,20,21,24)
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n/an/a 32n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM50195609
PNG
(CHEMBL216147 | N-hydroxy-4-(3,4-dihydro-6-phenyl-4...)
Show SMILES ONC(=O)C=Cc1ccc(CSc2nc(cc(=O)[nH]2)-c2ccccc2)cc1 |w:5.5|
Show InChI InChI=1S/C20H17N3O3S/c24-18(23-26)11-10-14-6-8-15(9-7-14)13-27-20-21-17(12-19(25)22-20)16-4-2-1-3-5-16/h1-12,26H,13H2,(H,23,24)(H,21,22,25)
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n/an/a 34n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195599
PNG
(CHEMBL214877 | N-hydroxy-3-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCSc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C15H17N3O3S/c19-13(18-21)8-9-22-15-16-12(10-14(20)17-15)7-6-11-4-2-1-3-5-11/h1-5,10,21H,6-9H2,(H,18,19)(H,16,17,20)
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n/an/a 37n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195616
PNG
(CHEMBL387449 | N-hydroxy-7-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)10-6-1-2-7-11-24-17-18-14(12-16(22)19-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,21)(H,18,19,22)
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n/an/a 38n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM50234054
PNG
(6-(6-Oxo-4-phenyl-1,6-dihydro-pyrimidin-2-ylsulfan...)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H19N3O3S/c20-14(19-22)9-5-2-6-10-23-16-17-13(11-15(21)18-16)12-7-3-1-4-8-12/h1,3-4,7-8,11,22H,2,5-6,9-10H2,(H,19,20)(H,17,18,21)
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n/an/a 39n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195598
PNG
(CHEMBL216875 | N-hydroxy-5-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCSc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)8-4-5-11-24-17-18-14(12-16(22)19-17)10-9-13-6-2-1-3-7-13/h1-3,6-7,12,23H,4-5,8-11H2,(H,20,21)(H,18,19,22)
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n/an/a 40n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Mus musculus (Mouse))
BDBM50234055
PNG
(CHEMBL217494 | N-hydroxy-5-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C15H17N3O3S/c19-13(18-21)8-4-5-9-22-15-16-12(10-14(20)17-15)11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H,18,19)(H,16,17,20)
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n/an/a 40n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC1


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195615
PNG
(CHEMBL218348 | N-hydroxy-3-(3,4-dihydro-6-benzyl-4...)
Show SMILES ONC(=O)C=Cc1cccc(CSc2nc(Cc3ccccc3)cc(=O)[nH]2)c1 |w:5.5|
Show InChI InChI=1S/C21H19N3O3S/c25-19(24-27)10-9-16-7-4-8-17(11-16)14-28-21-22-18(13-20(26)23-21)12-15-5-2-1-3-6-15/h1-11,13,27H,12,14H2,(H,24,25)(H,22,23,26)
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n/an/a 41n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195602
PNG
(CHEMBL216834 | N-hydroxy-8-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H23N3O3S/c22-16(21-24)11-7-2-1-3-8-12-25-18-19-15(13-17(23)20-18)14-9-5-4-6-10-14/h4-6,9-10,13,24H,1-3,7-8,11-12H2,(H,21,22)(H,19,20,23)
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n/an/a 42n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50195615
PNG
(CHEMBL218348 | N-hydroxy-3-(3,4-dihydro-6-benzyl-4...)
Show SMILES ONC(=O)C=Cc1cccc(CSc2nc(Cc3ccccc3)cc(=O)[nH]2)c1 |w:5.5|
Show InChI InChI=1S/C21H19N3O3S/c25-19(24-27)10-9-16-7-4-8-17(11-16)14-28-21-22-18(13-20(26)23-21)12-15-5-2-1-3-6-15/h1-11,13,27H,12,14H2,(H,24,25)(H,22,23,26)
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n/an/a 42n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50195598
PNG
(CHEMBL216875 | N-hydroxy-5-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCSc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)8-4-5-11-24-17-18-14(12-16(22)19-17)10-9-13-6-2-1-3-7-13/h1-3,6-7,12,23H,4-5,8-11H2,(H,20,21)(H,18,19,22)
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n/an/a 46n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50195603
PNG
(CHEMBL217449 | N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1...)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)C1(CC1)c1ccccc1
Show InChI InChI=1S/C19H23N3O3S/c23-16(22-25)9-5-2-6-12-26-18-20-15(13-17(24)21-18)19(10-11-19)14-7-3-1-4-8-14/h1,3-4,7-8,13,25H,2,5-6,9-12H2,(H,22,23)(H,20,21,24)
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n/an/a 47n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase


(Zea mays)
BDBM50195616
PNG
(CHEMBL387449 | N-hydroxy-7-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCCCSc1nc(cc(=O)[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H21N3O3S/c21-15(20-23)10-6-1-2-7-11-24-17-18-14(12-16(22)19-17)13-8-4-3-5-9-13/h3-5,8-9,12,23H,1-2,6-7,10-11H2,(H,20,21)(H,18,19,22)
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n/an/a 48n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1B


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
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 50n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
Histone deacetylase 2b


(Zea mays)
BDBM50195606
PNG
(CHEMBL214837 | N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1...)
Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N3O3S/c27-20(26-29)14-8-3-9-15-30-23-24-19(16-21(28)25-23)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,22,29H,3,8-9,14-15H2,(H,26,27)(H,24,25,28)
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n/an/a 52n/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD2


J Med Chem 49: 6046-56 (2006)


Article DOI: 10.1021/jm0605536
BindingDB Entry DOI: 10.7270/Q2Z31Z9B
More data for this
Ligand-Target Pair
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