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Compile Data Set for Download or QSAR

Found 1573 hits of ic50 for UniProtKB: P56524   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50002747
PNG
(CHEMBL217546)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-6-4-10(5-7-11)12-9-14(21)18-15(17-12)23-8-2-1-3-13(20)19-22/h4-7,9,22H,1-3,8H2,(H,19,20)(H,17,18,21)
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n/an/a 0.00100n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-A (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50002746
PNG
(CHEMBL217545)
Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN3O3S/c16-11-5-3-4-10(8-11)12-9-14(21)18-15(17-12)23-7-2-1-6-13(20)19-22/h3-5,8-9,22H,1-2,6-7H2,(H,19,20)(H,17,18,21)
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n/an/a 0.00200n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-A (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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 0.0470n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of maize HD1-A (mean)


Bioorg Med Chem Lett 17: 1221-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.028
BindingDB Entry DOI: 10.7270/Q29W0H0K
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50366693
PNG
(CHEMBL1793812)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCCN2CC1=O
Show InChI InChI=1S/C35H49N5O7/c1-4-22(2)32-30(42)20-39-17-11-10-15-28(39)35(45)36-25(13-6-5-7-16-29(41)31-21-47-31)33(43)37-26(34(44)38-32)18-23-19-40(46-3)27-14-9-8-12-24(23)27/h8-9,12,14,19,22,25-26,28,31-32H,4-7,10-11,13,15-18,20-21H2,1-3H3,(H,36,45)(H,37,43)(H,38,44)/t22-,25-,26-,28+,31?,32-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65470
PNG
(Quinolone-based HDAC inhibitor 4i)
Show SMILES Cc1csc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)n1
Show InChI InChI=1S/C19H20N4O4S/c1-12-11-28-19(20-12)21-18(26)14-10-23(9-5-4-8-16(24)22-27)15-7-3-2-6-13(15)17(14)25/h2-3,6-7,10-11,27H,4-5,8-9H2,1H3,(H,22,24)(H,20,21,26)
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n/an/a 0.100n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
BindingDB Entry DOI: 10.7270/Q22J6916
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50366738
PNG
(CHEMBL1793985)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c([nH]c3ccccc23)-c2cc(OC)cc(OC)c2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N5O7/c1-6-25(3)36-41(51)46-20-14-13-19-35(46)40(50)43-33(18-10-8-9-15-27(47)7-2)38(48)44-34(39(49)45-36)24-31-30-16-11-12-17-32(30)42-37(31)26-21-28(52-4)23-29(22-26)53-5/h11-12,16-17,21-23,25,33-36,42H,6-10,13-15,18-20,24H2,1-5H3,(H,43,50)(H,44,48)(H,45,49)/t25-,33-,34-,35+,36-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50366696
PNG
(CHEMBL1793811)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCCN2CC1=O
Show InChI InChI=1S/C33H48N6O7/c1-4-21(2)30-28(40)20-38-17-11-10-15-27(38)33(44)34-24(13-6-5-7-16-29(41)37-45)31(42)35-25(32(43)36-30)18-22-19-39(46-3)26-14-9-8-12-23(22)26/h8-9,12,14,19,21,24-25,27,30,45H,4-7,10-11,13,15-18,20H2,1-3H3,(H,34,44)(H,35,42)(H,36,43)(H,37,41)/t21-,24-,25-,27+,30-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50218940
PNG
(CHEMBL1793991)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(CN3CCCC3)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(=O)CC)NC(=O)[C@@]2([H])CCCCN2C1=O
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50134803
PNG
(5,8-Dimethyl-11-(6-oxiranyl-6-oxo-hexyl)-decahydro...)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O
Show InChI InChI=1S/C21H32N4O6/c1-12-18(27)23-13(2)21(30)25-10-6-8-15(25)20(29)24-14(19(28)22-12)7-4-3-5-9-16(26)17-11-31-17/h12-15,17H,3-11H2,1-2H3,(H,22,28)(H,23,27)(H,24,29)/t12-,13-,14-,15+,17?/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Universit£ degli Studi di Roma"La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of Histone deacetylase 4 in mammalian cells.


J Med Chem 46: 4826-9 (2003)


Article DOI: 10.1021/jm034167p
BindingDB Entry DOI: 10.7270/Q28C9X0G
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50366712
PNG
(CHEMBL1793822)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C(C)O)NC(=O)[C@H]2CCCCN2CC1=O
Show InChI InChI=1S/C35H51N5O7/c1-5-22(2)32-31(43)21-39-18-12-11-16-29(39)35(46)36-26(14-7-6-8-17-30(42)23(3)41)33(44)37-27(34(45)38-32)19-24-20-40(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22-23,26-27,29,32,41H,5-8,11-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22-,23?,26-,27-,29+,32-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50366713
PNG
(CHEMBL1793816)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)OC)NC(=O)[C@H]2CCCCN2CC1=O
Show InChI InChI=1S/C34H49N5O7/c1-5-22(2)31-29(40)21-38-18-12-11-16-28(38)34(44)35-25(14-7-6-8-17-30(41)45-3)32(42)36-26(33(43)37-31)19-23-20-39(46-4)27-15-10-9-13-24(23)27/h9-10,13,15,20,22,25-26,28,31H,5-8,11-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22-,25-,26-,28+,31-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162854
PNG
(US9056843, 145)
Show SMILES CCCN(CC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C18H23F3N4O2/c1-4-10-25(5-2)11-12(3)22-16(26)14-8-6-13(7-9-14)15-23-17(27-24-15)18(19,20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,26)/t12-/s2
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n/an/a 0.75n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM29589
PNG
(Faridak | LBH-589 | LBH-589B | Panobinostat)
Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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n/an/a 0.830n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using Ac-Leu-Gly-Lys (Ac)-AMC as substrate after 30 mins by fluorescence assay


J Med Chem 59: 5488-504 (2016)


BindingDB Entry DOI: 10.7270/Q2T155K0
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162865
PNG
(US9056843, 156)
Show SMILES C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C21H21F3N4O2/c1-14(12-28(2)13-15-6-4-3-5-7-15)25-19(29)17-10-8-16(9-11-17)18-26-20(30-27-18)21(22,23)24/h3-11,14H,12-13H2,1-2H3,(H,25,29)/t14-/s2
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n/an/a 0.850n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162846
PNG
(US9056843, 137)
Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C19H25F3N4O2/c1-4-10-26(11-5-2)12-13(3)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,27)/t13-/s2
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n/an/a 0.970n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50366706
PNG
(CHEMBL1793810)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2CC1=O
Show InChI InChI=1S/C35H51N5O6/c1-5-23(3)32-31(42)22-39-19-13-12-18-30(39)35(45)36-27(16-9-7-8-14-25(41)6-2)33(43)37-28(34(44)38-32)20-24-21-40(46-4)29-17-11-10-15-26(24)29/h10-11,15,17,21,23,27-28,30,32H,5-9,12-14,16,18-20,22H2,1-4H3,(H,36,45)(H,37,43)(H,38,44)/t23-,27-,28-,30+,32-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162848
PNG
(US9056843, 139)
Show SMILES CCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C17H22F3N4O2/c1-4-9-24(3)10-11(2)21-15(25)13-7-5-12(6-8-13)14-22-17(26-23-14)20-16(18)19/h5-8,11,16H,4,9-10H2,1-3H3,(H,21,25)/t11-/s2
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n/an/a 1n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50141381
PNG
(CHEMBL3758184)
Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(CCc4ccccc4)C3)CC(=O)c2c1
Show InChI InChI=1/C24H26N2O4/c27-21-16-24(12-4-13-26(17-24)14-11-18-5-2-1-3-6-18)30-22-9-7-19(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+
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n/an/a 1n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis


Eur J Med Chem 108: 53-67 (2016)


BindingDB Entry DOI: 10.7270/Q2N87CN0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50218877
PNG
(CHEMBL1793823)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(OC)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(=O)C(C)F)NC(=O)[C@@]2([H])CCCCN2CC1=O
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50218879
PNG
(CHEMBL1793947)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(OC)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(=O)CCC)NC(=O)[C@@]2([H])CCCCN2CC1=O
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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>1n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 5528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.003
BindingDB Entry DOI: 10.7270/Q24T6K81
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50258539
PNG
((S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol...)
Show SMILES CN1CCC(CC1)C(=O)N[C@@H](CCCCCC(C)=O)c1nc(c[nH]1)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-20(33)8-4-3-5-11-25(31-28(34)22-14-16-32(2)17-15-22)27-29-19-26(30-27)24-13-12-21-9-6-7-10-23(21)18-24/h6-7,9-10,12-13,18-19,22,25H,3-5,8,11,14-17H2,1-2H3,(H,29,30)(H,31,34)/t25-/m0/s1
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IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 5528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.003
BindingDB Entry DOI: 10.7270/Q24T6K81
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25146
PNG
(2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo...)
Show SMILES COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(c[nH]3)-c3ccccc3)c2c1 |r|
Show InChI InChI=1S/C29H34N4O3/c1-19(34)10-6-4-9-13-26(29-30-18-27(33-29)21-11-7-5-8-12-21)32-28(35)17-23-20(2)31-25-15-14-22(36-3)16-24(23)25/h5,7-8,11-12,14-16,18,26,31H,4,6,9-10,13,17H2,1-3H3,(H,30,33)(H,32,35)/t26-/m0/s1
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IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 18: 5528-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.003
BindingDB Entry DOI: 10.7270/Q24T6K81
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162859
PNG
(US9056843, 150)
Show SMILES CCCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C18H23F3N4O2/c1-4-5-10-25(3)11-12(2)22-16(26)14-8-6-13(7-9-14)15-23-17(27-24-15)18(19,20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,26)/t12-/s2
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n/an/a 1.10n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162852
PNG
(US9056843, 143)
Show SMILES CCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C17H20F4N4O2/c1-4-7-25(3)9-10(2)22-15(26)12-6-5-11(8-13(12)18)14-23-16(27-24-14)17(19,20)21/h5-6,8,10H,4,7,9H2,1-3H3,(H,22,26)/t10-/s2
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n/an/a 1.20n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by Biomol assay


Proc Natl Acad Sci USA 104: 17335-40 (2007)


Article DOI: 10.1073/pnas.0706487104
BindingDB Entry DOI: 10.7270/Q2C82B5X
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50218931
PNG
(CHEMBL1793992)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(CCN)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(=O)CC)NC(=O)[C@@]2([H])CCCCN2C1=O
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-A...


Eur J Med Chem 116: 126-135 (2016)


BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50079798
PNG
(CHEMBL99661)
Show SMILES CNCC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C25H33N3O4S2.2C2HF3O2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23;2*3-2(4,5)1(6)7/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31);2*(H,6,7)/t18?,19-,21-,22-;;/m0../s1
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2919-23 (2002)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162850
PNG
(US9056843, 141)
Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C19H24F4N4O2/c1-4-8-27(9-5-2)11-12(3)24-17(28)14-7-6-13(10-15(14)20)16-25-18(29-26-16)19(21,22)23/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,24,28)/t12-/s2
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n/an/a 1.40n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65471
PNG
(Quinolone-based HDAC inhibitor 4j)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2nc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H20N4O4S/c27-19(25-30)11-5-6-12-26-13-15(20(28)14-7-1-3-9-17(14)26)21(29)24-22-23-16-8-2-4-10-18(16)31-22/h1-4,7-10,13,30H,5-6,11-12H2,(H,25,27)(H,23,24,29)
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n/an/a 1.5n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
BindingDB Entry DOI: 10.7270/Q22J6916
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222736
PNG
(CHEMBL241555 | cyclo(-L-Am7(S2Py)-Aib-L-Ser(Bzl)-D...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](COCc2ccccc2)NC1=O
Show InChI InChI=1S/C31H41N5O5S2/c1-31(2)30(40)34-24(21-41-20-22-12-5-3-6-13-22)29(39)36-18-11-15-25(36)28(38)33-23(27(37)35-31)14-7-4-10-19-42-43-26-16-8-9-17-32-26/h3,5-6,8-9,12-13,16-17,23-25H,4,7,10-11,14-15,18-21H2,1-2H3,(H,33,38)(H,34,40)(H,35,37)/t23-,24-,25+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
BindingDB Entry DOI: 10.7270/Q2BG2NQK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222728
PNG
(CHEMBL394261 | cyclo(-L-Am7(S2Py)-A2in-L-Ala-D-Pro...)
Show SMILES C[C@@H]1NC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H37N5O4S2/c1-20-28(38)35-16-9-13-24(35)27(37)33-23(12-3-2-8-17-40-41-25-14-6-7-15-31-25)26(36)34-30(29(39)32-20)18-21-10-4-5-11-22(21)19-30/h4-7,10-11,14-15,20,23-24H,2-3,8-9,12-13,16-19H2,1H3,(H,32,39)(H,33,37)(H,34,36)/t20-,23-,24+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
BindingDB Entry DOI: 10.7270/Q2BG2NQK
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162855
PNG
(US9056843, 146)
Show SMILES CCCN(CC)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C18H22F4N4O2/c1-4-8-26(5-2)10-11(3)23-16(27)13-7-6-12(9-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,27)/t11-/s2
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US Patent
n/an/a 1.60n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162860
PNG
(US9056843, 151)
Show SMILES CCCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r|
Show InChI InChI=1/C18H22F4N4O2/c1-4-5-8-26(3)10-11(2)23-16(27)13-7-6-12(9-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,27)/t11-/s2
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n/an/a 1.80n/an/an/an/a8.025



NOVARTIS AG

US Patent


Assay Description
Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...


US Patent US9056843 (2015)


BindingDB Entry DOI: 10.7270/Q24F1PG8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222732
PNG
((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C30H39N5O4S2/c1-30(2)29(39)33-23(20-21-12-5-3-6-13-21)28(38)35-18-11-15-24(35)27(37)32-22(26(36)34-30)14-7-4-10-19-40-41-25-16-8-9-17-31-25/h3,5-6,8-9,12-13,16-17,22-24H,4,7,10-11,14-15,18-20H2,1-2H3,(H,32,37)(H,33,39)(H,34,36)/t22-,23-,24+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
BindingDB Entry DOI: 10.7270/Q2BG2NQK
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50218869
PNG
(CHEMBL1793938)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(OC)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(C)=O)NC(=O)[C@@]2([H])CCCCN2CC1=O
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 107-11 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4XNX
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50366745
PNG
(CHEMBL1793989)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C33H47N5O5/c1-4-21(3)29-33(43)38-18-12-11-17-28(38)32(42)35-26(16-8-6-7-13-23(39)5-2)30(40)36-27(31(41)37-29)19-22-20-34-25-15-10-9-14-24(22)25/h9-10,14-15,20-21,26-29,34H,4-8,11-13,16-19H2,1-3H3,(H,35,42)(H,36,40)(H,37,41)/t21-,26-,27-,28+,29-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
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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Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
BindingDB Entry DOI: 10.7270/Q2BG2NQK
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50082325
PNG
(CHEMBL99392)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O
Show InChI InChI=1S/C20H19Cl2N4O6P/c1-10(20-25-18(26-31-20)7-11-2-4-14(21)15(22)6-11)23-19(27)17-9-12-8-13(32-33(28,29)30)3-5-16(12)24-17/h2-6,8,10,12,16H,7,9H2,1H3,(H,23,27)(H2,28,29,30)/t10-,12?,16?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2919-23 (2002)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 2n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-A...


Eur J Med Chem 116: 126-135 (2016)


BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM152481
PNG
(Z-L-Am7(betaMe)-QA (3))
Show SMILES OCCSSCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1/C26H31N3O4S2/c30-16-18-35-34-17-6-2-5-13-23(29-26(32)33-19-20-9-3-1-4-10-20)25(31)28-22-14-7-11-21-12-8-15-27-24(21)22/h1,3-4,7-12,14-15,23,30H,2,5-6,13,16-19H2,(H,28,31)(H,29,32)/t23-/s2
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Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 ÁL of the enzyme fraction was added to 1 ÁL of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 ÁL of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
BindingDB Entry DOI: 10.7270/Q2T152C2
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50099379
PNG
(CHEMBL95881)
Show SMILES CC(C)C[C@H]1CN[C@@H](Cc2ccc(OCCCCC[C@H]1C(=O)OC(C)(C)C)cc2)C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C9H18O9S2/c10-1-7(18-20(15,16)17)5(12)3-19-4-6(13)9(14)8(19)2-11/h5-14H,1-4H2/t5-,6?,7+,8?,9?,19?/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2919-23 (2002)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50142796
PNG
(CHEMBL3759186)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 2.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...


Eur J Med Chem 109: 1-12 (2016)


BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222730
PNG
(CHEMBL393464 | cyclo(-L-Am7(S2Py)-L-2MePhe-L-Ala-D...)
Show SMILES C[C@@H]1NC(=O)[C@](C)(Cc2ccccc2)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H39N5O4S2/c1-21-28(38)35-18-11-15-24(35)27(37)33-23(14-7-4-10-19-40-41-25-16-8-9-17-31-25)26(36)34-30(2,29(39)32-21)20-22-12-5-3-6-13-22/h3,5-6,8-9,12-13,16-17,21,23-24H,4,7,10-11,14-15,18-20H2,1-2H3,(H,32,39)(H,33,37)(H,34,36)/t21-,23-,24+,30-/m0/s1
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Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
BindingDB Entry DOI: 10.7270/Q2BG2NQK
More data for this
Ligand-Target Pair
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