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Compile Data Set for Download or QSAR

Found 89 hits of ki data for polymerid = 6107   
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
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347330
PNG
(MO-OH-PHE | US9790158, 1)
Show SMILES Oc1ccccc(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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0.0800n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50105327
PNG
(JNJ-26481585 | QUISINOSTAT | Quisinostat)
Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
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0.300n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347451
PNG
(MO-OH-NAP | US9790158, 2)
Show SMILES Oc1ccccc(-c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C17H12O2/c18-16-8-4-3-7-15(17(16)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,18,19)
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0.540n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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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0.600n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347456
PNG
(US9790158, 7)
Show SMILES COc1cccc(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C14H12O3/c1-17-12-6-2-4-10(8-12)11-5-3-7-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)
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1.70n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353233
PNG
(CHEMBL1830536)
Show SMILES CCNCCn1c(CC\C=C/CC)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H28N4O2/c1-3-5-6-7-8-19-22-17-15-16(10-12-20(25)23-26)9-11-18(17)24(19)14-13-21-4-2/h5-6,9-12,15,21,26H,3-4,7-8,13-14H2,1-2H3,(H,23,25)/b6-5-,12-10+
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2.40n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347452
PNG
(MO-OH-SM | US9790158, 3)
Show SMILES COc1ccc(cc1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)
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2.74n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM79632
PNG
(2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...)
Show SMILES CC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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3.32n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353234
PNG
(CHEMBL1830537)
Show SMILES CCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-19-22-17-14-16(9-11-20(25)23-26)8-10-18(17)24(19)13-12-21-15(2)3/h8-11,14-15,21,26H,4-7,12-13H2,1-3H3,(H,23,25)/b11-9+
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3.60n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353232
PNG
(CHEMBL1830424)
Show SMILES CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C20H30N4O2/c1-4-5-6-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(2)3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
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5.30n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50319209
PNG
(6-[3-(4-Bromo-benzoyl)-ureido]-hexanoic acid hydro...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H18BrN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
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6n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353230
PNG
(CHEMBL1830420)
Show SMILES CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNCC
Show InChI InChI=1S/C20H30N4O2/c1-3-5-6-7-8-19-22-17-15-16(10-12-20(25)23-26)9-11-18(17)24(19)14-13-21-4-2/h9-12,15,21,26H,3-8,13-14H2,1-2H3,(H,23,25)/b12-10+
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6.20n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353231
PNG
(CHEMBL1830422)
Show SMILES CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C21H32N4O2/c1-4-5-6-7-8-20-23-18-15-17(10-12-21(26)24-27)9-11-19(18)25(20)14-13-22-16(2)3/h9-12,15-16,22,27H,4-8,13-14H2,1-3H3,(H,24,26)/b12-10+
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6.60n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347461
PNG
(US9790158, 12)
Show SMILES Oc1cccc(cc1=O)C1CCCC1
Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
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6.64n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50105327
PNG
(JNJ-26481585 | QUISINOSTAT | Quisinostat)
Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)
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6.70n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353229
PNG
(CHEMBL1830397)
Show SMILES CN(C)CC(C)(C)Cn1c(CC(C)(C)C)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C22H34N4O2/c1-21(2,3)13-19-23-17-12-16(9-11-20(27)24-28)8-10-18(17)26(19)15-22(4,5)14-25(6)7/h8-12,28H,13-15H2,1-7H3,(H,24,27)/b11-9+
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7.90n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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8.5n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50248522
PNG
(CHEMBL489332 | N-hydroxy-3-(2-phenethyl-1-(2-(pipe...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-3-1-4-8-20)29(23)18-17-28-15-5-2-6-16-28/h1,3-4,7-9,11-12,14,19,31H,2,5-6,10,13,15-18H2,(H,27,30)/b14-11+
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8.70n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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9.60n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50248570
PNG
(3-(1-(3-(dimethylamino)-2,2-dimethylpropyl)-2-phen...)
Show SMILES CN(C)CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C25H32N4O2/c1-25(2,17-28(3)4)18-29-22-13-10-20(12-15-24(30)27-31)16-21(22)26-23(29)14-11-19-8-6-5-7-9-19/h5-10,12-13,15-16,31H,11,14,17-18H2,1-4H3,(H,27,30)/b15-12+
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10n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353228
PNG
(CHEMBL1830396)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCNC(C)C
Show InChI InChI=1S/C19H28N4O2/c1-4-5-6-18-21-16-13-15(8-10-19(24)22-25)7-9-17(16)23(18)12-11-20-14(2)3/h7-10,13-14,20,25H,4-6,11-12H2,1-3H3,(H,22,24)/b10-8+
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11n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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15n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353227
PNG
(CHEMBL3215861)
Show SMILES Cl.Cl.CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC
Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
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16n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50105330
PNG
(CHEMBL1851943)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC
Show InChI InChI=1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
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16n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
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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16n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50319235
PNG
(6-(3-Benzoyl-ureido)-hexanoic acid hydroxyamide | ...)
Show SMILES ONC(=O)CCCCCNC(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C14H19N3O4/c18-12(17-21)9-5-2-6-10-15-14(20)16-13(19)11-7-3-1-4-8-11/h1,3-4,7-8,21H,2,5-6,9-10H2,(H,17,18)(H2,15,16,19,20)
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20n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC4


Bioorg Med Chem Lett 20: 3314-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.041
BindingDB Entry DOI: 10.7270/Q2GT5NCX
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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20n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay


J Med Chem 54: 4694-720 (2011)


Article DOI: 10.1021/jm2003552
BindingDB Entry DOI: 10.7270/Q29S1RD6
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347454
PNG
(MO-OH-TM | US9790158, 5)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc(O)c1=O
Show InChI InChI=1S/C16H16O5/c1-19-13-9-8-11(15(20-2)16(13)21-3)10-6-4-5-7-12(17)14(10)18/h4-9H,1-3H3,(H,17,18)
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59n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM348883
PNG
(US9790158, 6)
Show SMILES Oc1cc(cccc1=O)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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72.8n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
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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91n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal GST-tagged HDAC4 expressed in baculovirus-infected insect cells using Boc-Lys(TFA)-AMC as substrate by flu...


J Med Chem 61: 3454-3477 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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94.5n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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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170n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347453
PNG
(MO-OH-DM | US9790158, 4)
Show SMILES COc1ccc(OC)c(c1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C15H14O4/c1-18-10-7-8-14(19-2)12(9-10)11-5-3-4-6-13(16)15(11)17/h3-9H,1-2H3,(H,16,17)
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184n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM25150
PNG
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
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380n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM348884
PNG
(US9790158, 10)
Show SMILES CC(C)(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)
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489n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347457
PNG
(US9790158, 8)
Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
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541n/an/an/an/an/an/an/an/a



University of Connecticut

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2QZ2D3V
More data for this
Ligand-Target Pair
Histone deacetylase 4


(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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550n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 4


(Homo sapiens (Human))
BDBM348884
PNG
(US9790158, 10)
Show SMILES CC(C)(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)
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806n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)

More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 4


(Homo sapiens (Human))
BDBM347461
PNG
(US9790158, 12)
Show SMILES Oc1cccc(cc1=O)C1CCCC1
Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
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990n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50105329
PNG
(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
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1.05E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50252395
PNG
(CHEMBL4087616)
Show SMILES CN1C(=O)C2CN(Cc3c2c2ccccc2n3Cc2ccc(cc2)C(=O)NO)C1=O
Show InChI InChI=1S/C22H20N4O4/c1-24-21(28)16-11-25(22(24)29)12-18-19(16)15-4-2-3-5-17(15)26(18)10-13-6-8-14(9-7-13)20(27)23-30/h2-9,16,30H,10-12H2,1H3,(H,23,27)
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1.82E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal GST-tagged HDAC4 expressed in baculovirus-infected insect cells using Boc-Lys(TFA)-AMC as substrate by flu...


J Med Chem 61: 3454-3477 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50123957
PNG
((E)-5-(3-Benzenesulfonylamino-phenyl)-pent-2-en-4-...)
Show SMILES ONC(=O)\C=C\C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H14N2O4S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
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2.03E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
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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2.25E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50463743
PNG
(CHEMBL4241370)
Show SMILES CC(C)(CCCCC(=O)NO)Nc1c(Nc2ccc(cc2)C(F)(F)F)c(=O)c1=O
Show InChI InChI=1S/C19H22F3N3O4/c1-18(2,10-4-3-5-13(26)25-29)24-15-14(16(27)17(15)28)23-12-8-6-11(7-9-12)19(20,21)22/h6-9,23-24,29H,3-5,10H2,1-2H3,(H,25,26)
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3.40E+3n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)

More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 4


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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6.12E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)

More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 4


(Homo sapiens (Human))
BDBM50492540
PNG
(CHEMBL2408243)
Show SMILES COc1ccc(cc1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C14H12O3/c1-17-12-7-5-10(6-8-12)11-3-2-4-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)
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8.36E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 by Michaelis-Menten equation analysis


ACS Med Chem Lett 4: 757-61 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(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
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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9.12E+3n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4


Bioorg Med Chem 23: 5151-5 (2015)


Article DOI: 10.1016/j.bmc.2014.12.066
BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50463738
PNG
(CHEMBL4244764)
Show SMILES CC(Nc1c(NCCCCCC(=O)NO)c(=O)c1=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H33N3O4/c1-13(22-10-14-7-15(11-22)9-16(8-14)12-22)24-19-18(20(27)21(19)28)23-6-4-2-3-5-17(26)25-29/h13-16,23-24,29H,2-12H2,1H3,(H,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50463739
PNG
(CHEMBL4237803)
Show SMILES COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1
Show InChI InChI=1S/C17H21N3O5/c1-25-12-8-6-11(7-9-12)19-15-14(16(22)17(15)23)18-10-4-2-3-5-13(21)20-24/h6-9,18-19,24H,2-5,10H2,1H3,(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Nestle Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method


Bioorg Med Chem Lett 28: 2985-2992 (2018)

More data for this
Ligand-Target Pair
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