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Compile Data Set for Download or QSAR

Found 609 hits with Last Name = 'altucci' and Initial = 'l'   
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 protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
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 2.18E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...

J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))		BDBM50236570
PNG
(CHEMBL4072206)
Show SMILES BrCCCc1nc(no1)-c1ccc(Br)cc1
Show InChI InChI=1S/C11H10Br2N2O/c12-7-1-2-10-14-11(15-16-10)8-3-5-9(13)6-4-8/h3-6H,1-2,7H2
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 2.22E+3n/an/an/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human N-terminal His6-SUMO-tagged SIRT2 catalytic domain (43 to 356 residues) deacetylase activity expressed in Escherich...

J Med Chem 60: 2344-2360 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01609
BindingDB Entry DOI: 10.7270/Q2J968NS
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 6


(Homo sapiens (Human))		BDBM50591852
PNG
(CHEMBL5188540)
Show SMILES ONC(=O)c1ccc(CNC(=O)N2CCC(CC2)N2CC(C2=O)(c2ccccc2)c2ccccc2)cc1
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n/an/a 3.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114409
BindingDB Entry DOI: 10.7270/Q2NC655W
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle

Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50322419
PNG
(CHEMBL1171466 | Octanethioic acid S-[(E)-4-((5R,8S...)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](Cc3ccccc3)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C35H46N4O5S3/c1-4-5-6-7-11-17-30(41)45-18-13-12-16-26-19-28(40)36-21-29-37-27(22-46-29)32-39-35(23-47-32,20-25-14-9-8-10-15-25)34(43)38-31(24(2)3)33(42)44-26/h8-10,12,14-16,22,24,26,31H,4-7,11,13,17-21,23H2,1-3H3,(H,36,40)(H,38,43)/b16-12+/t26-,31+,35+/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 15 mins by fluorimetric assay

J Med Chem 53: 4654-67 (2010)


Article DOI: 10.1021/jm100244y
BindingDB Entry DOI: 10.7270/Q2WD40R6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50322418
PNG
(CHEMBL1173195 | Octanethioic acid S-[(E)-4-((8S,11...)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)-c2nc(cs2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r|
Show InChI InChI=1S/C28H38N4O5S3/c1-4-5-6-7-8-12-24(34)38-13-10-9-11-19-14-22(33)29-15-23-30-21(17-39-23)27-31-20(16-40-27)26(35)32-25(18(2)3)28(36)37-19/h9,11,16-19,25H,4-8,10,12-15H2,1-3H3,(H,29,33)(H,32,35)/b11-9+/t19-,25+/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 15 mins by fluorimetric assay

J Med Chem 53: 4654-67 (2010)


Article DOI: 10.1021/jm100244y
BindingDB Entry DOI: 10.7270/Q2WD40R6
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50562487
PNG
(CHEMBL4757504)
Show SMILES CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3ccccc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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n/an/a 6.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
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)		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 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)		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 2b


(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 1


(Homo sapiens (Human))		BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 11.4n/an/an/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 15 mins by fluorimetric assay

J Med Chem 53: 4654-67 (2010)


Article DOI: 10.1021/jm100244y
BindingDB Entry DOI: 10.7270/Q2WD40R6
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50562491
PNG
(CHEMBL4744710)
Show SMILES CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3cccnc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
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 1


(Homo sapiens (Human))		BDBM50322421
PNG
(CHEMBL1173194 | Octanethioic acid S-[(E)-4-((5R,8S...)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@H](CS2)C(=O)N[C@@H](C(C)C)C(=O)O1 |r,t:26|
Show InChI InChI=1S/C28H40N4O5S3/c1-4-5-6-7-8-12-24(34)38-13-10-9-11-19-14-22(33)29-15-23-30-21(17-39-23)27-31-20(16-40-27)26(35)32-25(18(2)3)28(36)37-19/h9,11,17-20,25H,4-8,10,12-16H2,1-3H3,(H,29,33)(H,32,35)/b11-9+/t19-,20+,25+/m1/s1
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n/an/a 13.7n/an/an/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 after 15 mins by fluorimetric assay

J Med Chem 53: 4654-67 (2010)


Article DOI: 10.1021/jm100244y
BindingDB Entry DOI: 10.7270/Q2WD40R6
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 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)		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


(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 6


(Homo sapiens (Human))		BDBM50591853
PNG
(CHEMBL5176595)
Show SMILES ONC(=O)c1ccc(COC(=O)N2CCC(CC2)N2CC(C2=O)(c2ccccc2)c2ccccc2)cc1
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n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114409
BindingDB Entry DOI: 10.7270/Q2NC655W
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50591850
PNG
(CHEMBL5184498)
Show SMILES ONC(=O)c1ccc(CNC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccccc2)c2ccccc2)cc1 |r|
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n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114409
BindingDB Entry DOI: 10.7270/Q2NC655W
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 6


(Homo sapiens (Human))		BDBM50562489
PNG
(CHEMBL4750401)
Show SMILES ONC(=O)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
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))		BDBM50409064
PNG
(CHEMBL5269954)
Show SMILES O=C1CC(CN2CCN(CC2)c2ncccn2)Cc2occc12
Show InChI InChI=1S/C17H20N4O2/c22-15-10-13(11-16-14(15)2-9-23-16)12-20-5-7-21(8-6-20)17-18-3-1-4-19-17/h1-4,9,13H,5-8,10-12H2
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at Alpha-1B adrenoceptor in Wistar rat spleen assessed as phenylephrine induced contractions after 30 mins

Citation and Details
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
Lysine-specific demethylase 5C


(Homo sapiens (Human))		BDBM26119
PNG
(2-[4-(methoxycarbonyl)pyridin-2-yl]pyridine-4-carb...)
Show SMILES COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
Show InChI InChI=1S/C13H10N2O4/c1-19-13(18)9-3-5-15-11(7-9)10-6-8(12(16)17)2-4-14-10/h2-7H,1H3,(H,16,17)
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n/an/a 30n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of recombinant JARID1C (unknown origin) incubated for 15 mins prior to substrate addition by AlphaScreen method

J Med Chem 57: 42-55 (2014)


Article DOI: 10.1021/jm4012802
BindingDB Entry DOI: 10.7270/Q2028VHD
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 30n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...

Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using ZMAL as substrate incubated for 90 mins ...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00395
BindingDB Entry DOI: 10.7270/Q27S7SG5
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


(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 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


(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 33n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at Alpha-1D adrenoceptor in Wistar rat thoracic aorta assessed as noradrenaline induced contractions after 30 mins

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50562492
PNG
(CHEMBL4752147)
Show SMILES Cn1c2ccccc2c(C2CCCCC2)c(OCc2ccc(cc2)C(=O)NO)c1=O
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 cells using Z-(Ac)Lys-AMC as substrate ...

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112998
BindingDB Entry DOI: 10.7270/Q2D50RNP
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 33n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at 5-HT3 receptor in guinea pig ileum muscle

Citation and Details
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 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 38n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of full length His-tagged human recombinant HDAC6 expressed in baculovirus system using fluor de Lys as substrate by fluorometric analysis

Eur J Med Chem 66: 56-68 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.017
BindingDB Entry DOI: 10.7270/Q27084CD
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 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)		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 6


(Homo sapiens (Human))		BDBM50468975
PNG
(CHEMBL4283913)
Show SMILES ONC(=O)c1ccc(CN2CC3(CCCCC3)c3ccccc23)cc1
Show InChI InChI=1S/C21H24N2O2/c24-20(22-25)17-10-8-16(9-11-17)14-23-15-21(12-4-1-5-13-21)18-6-2-3-7-19(18)23/h2-3,6-11,25H,1,4-5,12-15H2,(H,22,24)
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n/an/a 41n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...

Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
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