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Compile Data Set for Download or QSAR

Found 1043 hits of ic50 data for polymerid = 6107   
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)

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)

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)

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)

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
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...


Citation and Details
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
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...


Citation and Details
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
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...


Citation and Details
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
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...


Citation and Details
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
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)

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
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)

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)

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
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



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)

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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n/an/a 1n/an/an/an/an/an/a



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)

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
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...


Citation and Details
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
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 1.20n/an/an/an/an/an/a



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)

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
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...


Citation and Details
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)

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 ONC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc12
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)

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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n/an/a 1.30n/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...


Citation and Details
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
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...


Citation and Details
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)

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
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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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...


Citation and Details
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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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)

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)

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
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...


Citation and Details
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
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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n/an/a 2n/an/an/an/an/an/a



Kyushu Institute of Technology



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


Bioorg Chem 59: 145-50 (2015)

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
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)

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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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...


Citation and Details
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)

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
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 2.40n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay


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

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222735
PNG
(CHEMBL390991 | cyclo(-L-Am7(S2Py)-D-A1in-L-Ala-D-P...)
Show SMILES C[C@@H]1NC(=O)[C@@]2(CCc3ccccc23)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H37N5O4S2/c1-20-28(38)35-18-9-13-24(35)27(37)33-23(12-3-2-8-19-40-41-25-14-6-7-17-31-25)26(36)34-30(29(39)32-20)16-15-21-10-4-5-11-22(21)30/h4-7,10-11,14,17,20,23-24H,2-3,8-9,12-13,15-16,18-19H2,1H3,(H,32,39)(H,33,37)(H,34,36)/t20-,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)

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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n/an/a 2.5n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 catalytic domain expressed in HEK293 cells by Biomol assay


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

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50134799
PNG
(6-((5S,8S,11S,13aR)-5,8-Dimethyl-4,7,10,13-tetraox...)
Show SMILES C[C@@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O
Show InChI InChI=1S/C19H31N5O6/c1-11-16(26)21-12(2)19(29)24-10-6-8-14(24)18(28)22-13(17(27)20-11)7-4-3-5-9-15(25)23-30/h11-14,30H,3-10H2,1-2H3,(H,20,27)(H,21,26)(H,22,28)(H,23,25)/t11-,12-,13-,14+/m0/s1
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n/an/a 2.70n/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)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222729
PNG
(CHEMBL391384 | cyclo(-L-Am7(S2Py)-Aib-L-Ph5-D-Pro-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCc2ccccc2)NC1=O
Show InChI InChI=1S/C32H43N5O4S2/c1-32(2)31(41)35-25(17-11-15-23-13-5-3-6-14-23)30(40)37-21-12-18-26(37)29(39)34-24(28(38)36-32)16-7-4-10-22-42-43-27-19-8-9-20-33-27/h3,5-6,8-9,13-14,19-20,24-26H,4,7,10-12,15-18,21-22H2,1-2H3,(H,34,39)(H,35,41)(H,36,38)/t24-,25-,26+/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)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM228164
PNG
(US10047073, 6 | US10047073, 7)
Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1(CN2CCCC2C2CC2)CC1
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n/an/a 3n/an/an/an/an/an/a



CHDI FOUNDATION, INC

US Patent




Citation and Details
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 expressed in HEK293 cells by Biomol assay


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

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50051031
PNG
(CHEMBL2158745)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21-,22+,23+,25-/s2
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n/an/a 3n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222738
PNG
(CHEMBL391383 | cyclo(-L-Am7(S2Py)-Aib-L-Ph4-D-Pro-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCc2ccccc2)NC1=O
Show InChI InChI=1S/C31H41N5O4S2/c1-31(2)30(40)34-24(18-17-22-12-5-3-6-13-22)29(39)36-20-11-15-25(36)28(38)33-23(27(37)35-31)14-7-4-10-21-41-42-26-16-8-9-19-32-26/h3,5-6,8-9,12-13,16,19,23-25H,4,7,10-11,14-15,17-18,20-21H2,1-2H3,(H,33,38)(H,34,40)(H,35,37)/t23-,24-,25+/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)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM152482
PNG
((Z-L-Am7(S-)-QA)2 (4))
Show SMILES O=C(NC(CCCCCSSCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12)C(=O)Nc1cccc2cccnc12)OCc1ccccc1
Show InChI InChI=1/C48H52N6O6S2/c55-45(51-39-27-13-21-37-23-15-29-49-43(37)39)41(53-47(57)59-33-35-17-5-1-6-18-35)25-9-3-11-31-61-62-32-12-4-10-26-42(54-48(58)60-34-36-19-7-2-8-20-36)46(56)52-40-28-14-22-38-24-16-30-50-44(38)40/h1-2,5-8,13-24,27-30,41-42H,3-4,9-12,25-26,31-34H2,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t41-,42?/s2
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n/an/a 3.40n/an/an/an/an/an/a



Kyushu Institute of Technology



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


Bioorg Chem 59: 145-50 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162862
PNG
(US9056843, 153)
Show SMILES CN1CC[C@H](C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1/C15H15F3N4O2/c1-22-7-6-11(8-22)19-13(23)10-4-2-9(3-5-10)12-20-14(24-21-12)15(16,17)18/h2-5,11H,6-8H2,1H3,(H,19,23)/t11-/s2
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n/an/a 3.60n/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...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.70n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


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

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222733
PNG
(CHEMBL393961 | cyclo(-L-Am7(S2Py)-Aib-L-Ser-D-Pro-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC1=O
Show InChI InChI=1S/C24H35N5O5S2/c1-24(2)23(34)27-17(15-30)22(33)29-13-8-10-18(29)21(32)26-16(20(31)28-24)9-4-3-7-14-35-36-19-11-5-6-12-25-19/h5-6,11-12,16-18,30H,3-4,7-10,13-15H2,1-2H3,(H,26,32)(H,27,34)(H,28,31)/t16-,17-,18+/m0/s1
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n/an/a 4n/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)

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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n/an/a 4n/an/an/an/an/an/a



Istituto di Ricerche di Biologia Molecolare

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged HDAC4 by pull-down assay


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

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50048860
PNG
(CHEMBL3310508)
Show SMILES O=C1N[C@H]2CCCCCSSCCCCC[C@@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]12
Show InChI InChI=1/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/s2
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n/an/a 4.20n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...


Bioorg Med Chem 22: 3850-5 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50222737
PNG
(CHEMBL238587 | cyclo(-L-Am7(S2Py)-Aib-L-Ala-D-Tic-...)
Show SMILES C[C@H]1CN2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CCCCCSSc2ccccn2)C(=O)NC(C)(C)C(=O)N1
Show InChI InChI=1S/C29H39N5O3S2/c1-20-18-34-19-22-12-7-6-11-21(22)17-24(34)27(36)32-23(26(35)33-29(2,3)28(37)31-20)13-5-4-10-16-38-39-25-14-8-9-15-30-25/h6-9,11-12,14-15,20,23-24H,4-5,10,13,16-19H2,1-3H3,(H,31,37)(H,32,36)(H,33,35)/t20-,23-,24+/m0/s1
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n/an/a 4.20n/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)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 4.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


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

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM162847
PNG
(US9056843, 138)
Show SMILES C[C@H](CN(C)C(C)C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F
Show InChI InChI=1/C17H21F3N4O2/c1-10(2)24(4)9-11(3)21-15(25)13-7-5-12(6-8-13)14-22-16(26-23-14)17(18,19)20/h5-8,10-11H,9H2,1-4H3,(H,21,25)/t11-/s2
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n/an/a 4.5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50309931
PNG
(6-((1S,7R,10S,13R)-2,8,11,26-Tetraoxo-3,9,12,25-te...)
Show SMILES ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCCC[C@@H](NC1=O)C(=O)N2
Show InChI InChI=1S/C28H47N5O6/c34-24(32-39)18-12-8-11-15-21-25(35)29-20-14-9-6-4-2-1-3-5-7-10-16-22(31-26(20)36)28(38)33-19-13-17-23(33)27(37)30-21/h20-23,39H,1-19H2,(H,29,35)(H,30,37)(H,31,36)(H,32,34)/t20-,21+,22+,23-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 20: 997-9 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 4.60n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem Lett 20: 294-8 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50309932
PNG
(6-((1R,14S,20R,23S)-15,21,24,26-Tetraoxo-16,22,25,...)
Show SMILES ONC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCCCC[C@@H](NC1=O)C(=O)N2
Show InChI InChI=1S/C29H49N5O6/c35-25(33-40)19-13-9-12-16-22-26(36)30-21-15-10-7-5-3-1-2-4-6-8-11-17-23(32-27(21)37)29(39)34-20-14-18-24(34)28(38)31-22/h21-24,40H,1-20H2,(H,30,36)(H,31,38)(H,32,37)(H,33,35)/t21-,22+,23+,24-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 20: 997-9 (2010)

More data for this
Ligand-Target Pair
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