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Compile Data Set for Download or QSAR

Found 277 hits with Last Name = 'nebbioso' and Initial = 'a'   
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
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
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2.18E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL




J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
PDB
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2.22E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL




J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
More data for this
Ligand-Target Pair
Histone deacetylase HD1B


(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 HD2


(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 HD2


(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



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase HD2


(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 HD2


(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 HD2


(Zea mays)
BDBM50422364
PNG
(TRAPOXIN B)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1
Show InChI InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase HD2


(Zea mays)
BDBM50134805
PNG
(6,9-Dibenzyl-12-(6-oxiranyl-6-oxo-hexyl)-decahydro...)
Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C1CO1
Show InChI InChI=1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase HD1B


(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 HD2


(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 HD2


(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 HD2


(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 HD1B


(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 HD1B


(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 HD2


(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 HD2


(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 HD1B


(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))
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 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 HD1B


(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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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 HD1B


(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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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 HD2


(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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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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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 HD2


(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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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 HD2


(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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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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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 HD2


(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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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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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 HD2


(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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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 HD1B


(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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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 HD2


(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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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 HD1B


(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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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 HD1B


(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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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 HD1B


(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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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 HD2


(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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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 HD2


(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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Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibitory concentration against maize histone deacetylase 2


J Med Chem 48: 3344-53 (2005)


Article DOI: 10.1021/jm049002a
BindingDB Entry DOI: 10.7270/Q2222VKN
More data for this
Ligand-Target Pair
Histone deacetylase HD2


(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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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))
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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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 HD1B


(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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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 HD1B


(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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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))
BDBM50047965
PNG
(CHEMBL3314859)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)-c1nnc(Cc2cccc3ccccc23)o1
Show InChI InChI=1S/C22H17N3O3/c26-20(25-27)13-10-15-8-11-17(12-9-15)22-24-23-21(28-22)14-18-6-3-5-16-4-1-2-7-19(16)18/h1-13,27H,14H2,(H,25,26)/b13-10+
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n/an/a 60n/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))
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 60n/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 HD1B


(Zea mays)
BDBM50195610
PNG
(CHEMBL216065 | N-hydroxy-8-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCCCCSc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C20H27N3O3S/c24-18(23-26)11-7-2-1-3-8-14-27-20-21-17(15-19(25)22-20)13-12-16-9-5-4-6-10-16/h4-6,9-10,15,26H,1-3,7-8,11-14H2,(H,23,24)(H,21,22,25)
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n/an/a 62n/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 HD1B


(Zea mays)
BDBM50195619
PNG
(CHEMBL217846 | N-hydroxy-7-(3,4-dihydro-4-oxo-6-ph...)
Show SMILES ONC(=O)CCCCCCSc1nc(CCc2ccccc2)cc(=O)[nH]1
Show InChI InChI=1S/C19H25N3O3S/c23-17(22-25)10-6-1-2-7-13-26-19-20-16(14-18(24)21-19)12-11-15-8-4-3-5-9-15/h3-5,8-9,14,25H,1-2,6-7,10-13H2,(H,22,23)(H,20,21,24)
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n/an/a 62n/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 HD2


(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 62n/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 HD1B


(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 64n/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 HD1B


(Zea mays)
BDBM50195600
PNG
(CHEMBL216850 | N-hydroxy-4-(3,4-dihydro-6-benzyl-4...)
Show SMILES ONC(=O)C=Cc1ccc(CSc2nc(Cc3ccccc3)cc(=O)[nH]2)cc1 |w:5.5|
Show InChI InChI=1S/C21H19N3O3S/c25-19(24-27)11-10-15-6-8-17(9-7-15)14-28-21-22-18(13-20(26)23-21)12-16-4-2-1-3-5-16/h1-11,13,27H,12,14H2,(H,24,25)(H,22,23,26)
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n/an/a 73n/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 HD1B


(Zea mays)
BDBM50195618
PNG
(CHEMBL217192 | N-hydroxy-6-(3,4-dihydro-4-oxo-6-(1...)
Show SMILES COC(c1ccccc1)c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1
Show InChI InChI=1S/C18H23N3O4S/c1-25-17(13-8-4-2-5-9-13)14-12-16(23)20-18(19-14)26-11-7-3-6-10-15(22)21-24/h2,4-5,8-9,12,17,24H,3,6-7,10-11H2,1H3,(H,21,22)(H,19,20,23)
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n/an/a 79n/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
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