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PubMed code 26443078

Compile data set for download or QSAR
Found 108 hits of Enzyme Inhibition Constant Data   
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 1


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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 2n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC10 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151378
PNG
(CHEMBL3775521)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
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n/an/a 8.60n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 9n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 11n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150951
PNG
(CHEMBL3774793)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C17H16N4O3/c1-21(17-14-4-2-3-5-15(14)18-11-19-17)12-6-8-13(9-7-12)24-10-16(22)20-23/h2-9,11,23H,10H2,1H3,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 15n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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n/an/a 17n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150959
PNG
(CHEMBL3775581)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C17H20N4O3/c1-11-18-15-5-3-4-14(15)17(19-11)21(2)12-6-8-13(9-7-12)24-10-16(22)20-23/h6-9,23H,3-5,10H2,1-2H3,(H,20,22)
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n/an/a 17n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150955
PNG
(CHEMBL3774993)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-25(21-18-7-4-5-8-19(18)22-15-23-21)16-10-12-17(13-11-16)28-14-6-2-3-9-20(26)24-27/h4-5,7-8,10-13,15,27H,2-3,6,9,14H2,1H3,(H,24,26)
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n/an/a 19n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151325
PNG
(CHEMBL3775072)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C21H28N4O3/c1-15-22-19-8-6-7-18(19)21(23-15)25(2)16-10-12-17(13-11-16)28-14-5-3-4-9-20(26)24-27/h10-13,27H,3-9,14H2,1-2H3,(H,24,26)
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n/an/a 20n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151377
PNG
(CHEMBL3774890)
Show SMILES COc1ccc(cc1OCCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-16-24-19-10-7-6-9-18(19)23(25-16)27(2)17-12-13-20(30-3)21(15-17)31-14-8-4-5-11-22(28)26-29/h6-7,9-10,12-13,15,29H,4-5,8,11,14H2,1-3H3,(H,26,28)
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n/an/a 23n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 30n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150953
PNG
(CHEMBL3775209)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C19H20N4O3/c1-23(19-16-5-2-3-6-17(16)20-13-21-19)14-8-10-15(11-9-14)26-12-4-7-18(24)22-25/h2-3,5-6,8-11,13,25H,4,7,12H2,1H3,(H,22,24)
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n/an/a 34n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151381
PNG
(CHEMBL3775409)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O3/c1-16-23-20-9-6-5-8-19(20)22(24-16)26(2)17-11-13-18(14-12-17)29-15-7-3-4-10-21(27)25-28/h5-6,8-9,11-14,28H,3-4,7,10,15H2,1-2H3,(H,25,27)
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n/an/a 34n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 35n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 38n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150960
PNG
(CHEMBL3775269)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C19H24N4O3/c1-13-20-17-6-3-5-16(17)19(21-13)23(2)14-8-10-15(11-9-14)26-12-4-7-18(24)22-25/h8-11,25H,3-7,12H2,1-2H3,(H,22,24)
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n/an/a 40n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150954
PNG
(CHEMBL3774858)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-24(20-17-6-2-3-7-18(17)21-14-22-20)15-9-11-16(12-10-15)27-13-5-4-8-19(25)23-26/h2-3,6-7,9-12,14,26H,4-5,8,13H2,1H3,(H,23,25)
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n/an/a 49n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151380
PNG
(CHEMBL3775817)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-15-22-19-8-4-3-7-18(19)21(23-15)25(2)16-10-12-17(13-11-16)28-14-6-5-9-20(26)24-27/h3-4,7-8,10-13,27H,5-6,9,14H2,1-2H3,(H,24,26)
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n/an/a 57n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151324
PNG
(CHEMBL3774691)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C20H26N4O3/c1-14-21-18-7-5-6-17(18)20(22-14)24(2)15-9-11-16(12-10-15)27-13-4-3-8-19(25)23-26/h9-12,26H,3-8,13H2,1-2H3,(H,23,25)
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n/an/a 63n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151373
PNG
(CHEMBL3775539)
Show SMILES CN(c1cccc(OCCCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O3/c1-16-23-20-12-6-5-11-19(20)22(24-16)26(2)17-9-8-10-18(15-17)29-14-7-3-4-13-21(27)25-28/h5-6,8-12,15,28H,3-4,7,13-14H2,1-2H3,(H,25,27)
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n/an/a 73n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50150953
PNG
(CHEMBL3775209)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C19H20N4O3/c1-23(19-16-5-2-3-6-17(16)20-13-21-19)14-8-10-15(11-9-14)26-12-4-7-18(24)22-25/h2-3,5-6,8-11,13,25H,4,7,12H2,1H3,(H,22,24)
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n/an/a 76n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151379
PNG
(CHEMBL3775662)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-14-21-18-7-4-3-6-17(18)20(22-14)24(2)15-9-11-16(12-10-15)27-13-5-8-19(25)23-26/h3-4,6-7,9-12,26H,5,8,13H2,1-2H3,(H,23,25)
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n/an/a 84n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 95n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151376
PNG
(CHEMBL3775654)
Show SMILES COc1ccc(cc1OCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27)
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n/an/a 111n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151325
PNG
(CHEMBL3775072)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C21H28N4O3/c1-15-22-19-8-6-7-18(19)21(23-15)25(2)16-10-12-17(13-11-16)28-14-5-3-4-9-20(26)24-27/h10-13,27H,3-9,14H2,1-2H3,(H,24,26)
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n/an/a 120n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 135n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151377
PNG
(CHEMBL3774890)
Show SMILES COc1ccc(cc1OCCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-16-24-19-10-7-6-9-18(19)23(25-16)27(2)17-12-13-20(30-3)21(15-17)31-14-8-4-5-11-22(28)26-29/h6-7,9-10,12-13,15,29H,4-5,8,11,14H2,1-3H3,(H,26,28)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


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



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC10 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151378
PNG
(CHEMBL3775521)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
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n/an/a 172n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(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 172n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50150955
PNG
(CHEMBL3774993)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-25(21-18-7-4-5-8-19(18)22-15-23-21)16-10-12-17(13-11-16)28-14-6-2-3-9-20(26)24-27/h4-5,7-8,10-13,15,27H,2-3,6,9,14H2,1H3,(H,24,26)
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n/an/a 176n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(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 190n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 194n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC10 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50150960
PNG
(CHEMBL3775269)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C19H24N4O3/c1-13-20-17-6-3-5-16(17)19(21-13)23(2)14-8-10-15(11-9-14)26-12-4-7-18(24)22-25/h8-11,25H,3-7,12H2,1-2H3,(H,22,24)
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n/an/a 195n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151379
PNG
(CHEMBL3775662)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-14-21-18-7-4-3-6-17(18)20(22-14)24(2)15-9-11-16(12-10-15)27-13-5-8-19(25)23-26/h3-4,6-7,9-12,26H,5,8,13H2,1-2H3,(H,23,25)
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n/an/a 196n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50150954
PNG
(CHEMBL3774858)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-24(20-17-6-2-3-7-18(17)21-14-22-20)15-9-11-16(12-10-15)27-13-5-4-8-19(25)23-26/h2-3,6-7,9-12,14,26H,4-5,8,13H2,1H3,(H,23,25)
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n/an/a 203n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151380
PNG
(CHEMBL3775817)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-15-22-19-8-4-3-7-18(19)21(23-15)25(2)16-10-12-17(13-11-16)28-14-6-5-9-20(26)24-27/h3-4,7-8,10-13,27H,5-6,9,14H2,1-2H3,(H,24,26)
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n/an/a 204n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151324
PNG
(CHEMBL3774691)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C20H26N4O3/c1-14-21-18-7-5-6-17(18)20(22-14)24(2)15-9-11-16(12-10-15)27-13-4-3-8-19(25)23-26/h9-12,26H,3-8,13H2,1-2H3,(H,23,25)
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n/an/a 212n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50150951
PNG
(CHEMBL3774793)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C17H16N4O3/c1-21(17-14-4-2-3-5-15(14)18-11-19-17)12-6-8-13(9-7-12)24-10-16(22)20-23/h2-9,11,23H,10H2,1H3,(H,20,22)
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n/an/a 242n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151376
PNG
(CHEMBL3775654)
Show SMILES COc1ccc(cc1OCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27)
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n/an/a 253n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a 254n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50150959
PNG
(CHEMBL3775581)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C17H20N4O3/c1-11-18-15-5-3-4-14(15)17(19-11)21(2)12-6-8-13(9-7-12)24-10-16(22)20-23/h6-9,23H,3-5,10H2,1-2H3,(H,20,22)
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n/an/a 264n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151381
PNG
(CHEMBL3775409)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O3/c1-16-23-20-9-6-5-8-19(20)22(24-16)26(2)17-11-13-18(14-12-17)29-15-7-3-4-10-21(27)25-28/h5-6,8-9,11-14,28H,3-4,7,10,15H2,1-2H3,(H,25,27)
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n/an/a 272n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151372
PNG
(CHEMBL3774994)
Show SMILES CN(c1cccc(OCCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-15-22-19-11-4-3-10-18(19)21(23-15)25(2)16-8-7-9-17(14-16)28-13-6-5-12-20(26)24-27/h3-4,7-11,14,27H,5-6,12-13H2,1-2H3,(H,24,26)
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n/an/a 306n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

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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n/an/a 338n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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n/an/a 386n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(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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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151374
PNG
(CHEMBL3774877)
Show SMILES COc1ccc(cc1OCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C19H20N4O4/c1-12-20-15-7-5-4-6-14(15)19(21-12)23(2)13-8-9-16(26-3)17(10-13)27-11-18(24)22-25/h4-10,25H,11H2,1-3H3,(H,22,24)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151372
PNG
(CHEMBL3774994)
Show SMILES CN(c1cccc(OCCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-15-22-19-11-4-3-10-18(19)21(23-15)25(2)16-8-7-9-17(14-16)28-13-6-5-12-20(26)24-27/h3-4,7-11,14,27H,5-6,12-13H2,1-2H3,(H,24,26)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151374
PNG
(CHEMBL3774877)
Show SMILES COc1ccc(cc1OCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C19H20N4O4/c1-12-20-15-7-5-4-6-14(15)19(21-12)23(2)13-8-9-16(26-3)17(10-13)27-11-18(24)22-25/h4-10,25H,11H2,1-3H3,(H,22,24)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151326
PNG
(CHEMBL3774413)
Show SMILES CN(c1cccc(OCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-9-4-3-8-15(16)18(20-12)22(2)13-6-5-7-14(10-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50150946
PNG
(CHEMBL3775457)
Show SMILES COc1ccc(Nc2nc(C)nc3ccccc23)cc1OCCCC(=O)NO
Show InChI InChI=1S/C20H22N4O4/c1-13-21-16-7-4-3-6-15(16)20(22-13)23-14-9-10-17(27-2)18(12-14)28-11-5-8-19(25)24-26/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3,(H,24,25)(H,21,22,23)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151371
PNG
(CHEMBL3775009)
Show SMILES CN(c1cccc(OCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-14-21-18-10-4-3-9-17(18)20(22-14)24(2)15-7-5-8-16(13-15)27-12-6-11-19(25)23-26/h3-5,7-10,13,26H,6,11-12H2,1-2H3,(H,23,25)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150946
PNG
(CHEMBL3775457)
Show SMILES COc1ccc(Nc2nc(C)nc3ccccc23)cc1OCCCC(=O)NO
Show InChI InChI=1S/C20H22N4O4/c1-13-21-16-7-4-3-6-15(16)20(22-13)23-14-9-10-17(27-2)18(12-14)28-11-5-8-19(25)24-26/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3,(H,24,25)(H,21,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151371
PNG
(CHEMBL3775009)
Show SMILES CN(c1cccc(OCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-14-21-18-10-4-3-9-17(18)20(22-14)24(2)15-7-5-8-16(13-15)27-12-6-11-19(25)23-26/h3-5,7-10,13,26H,6,11-12H2,1-2H3,(H,23,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151373
PNG
(CHEMBL3775539)
Show SMILES CN(c1cccc(OCCCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O3/c1-16-23-20-12-6-5-11-19(20)22(24-16)26(2)17-9-8-10-18(15-17)29-14-7-3-4-13-21(27)25-28/h5-6,8-12,15,28H,3-4,7,13-14H2,1-2H3,(H,25,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151373
PNG
(CHEMBL3775539)
Show SMILES CN(c1cccc(OCCCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O3/c1-16-23-20-12-6-5-11-19(20)22(24-16)26(2)17-9-8-10-18(15-17)29-14-7-3-4-13-21(27)25-28/h5-6,8-12,15,28H,3-4,7,13-14H2,1-2H3,(H,25,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151374
PNG
(CHEMBL3774877)
Show SMILES COc1ccc(cc1OCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C19H20N4O4/c1-12-20-15-7-5-4-6-14(15)19(21-12)23(2)13-8-9-16(26-3)17(10-13)27-11-18(24)22-25/h4-10,25H,11H2,1-3H3,(H,22,24)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151371
PNG
(CHEMBL3775009)
Show SMILES CN(c1cccc(OCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-14-21-18-10-4-3-9-17(18)20(22-14)24(2)15-7-5-8-16(13-15)27-12-6-11-19(25)23-26/h3-5,7-10,13,26H,6,11-12H2,1-2H3,(H,23,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50150946
PNG
(CHEMBL3775457)
Show SMILES COc1ccc(Nc2nc(C)nc3ccccc23)cc1OCCCC(=O)NO
Show InChI InChI=1S/C20H22N4O4/c1-13-21-16-7-4-3-6-15(16)20(22-13)23-14-9-10-17(27-2)18(12-14)28-11-5-8-19(25)24-26/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3,(H,24,25)(H,21,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151326
PNG
(CHEMBL3774413)
Show SMILES CN(c1cccc(OCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-9-4-3-8-15(16)18(20-12)22(2)13-6-5-7-14(10-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151372
PNG
(CHEMBL3774994)
Show SMILES CN(c1cccc(OCCCCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-15-22-19-11-4-3-10-18(19)21(23-15)25(2)16-8-7-9-17(14-16)28-13-6-5-12-20(26)24-27/h3-4,7-11,14,27H,5-6,12-13H2,1-2H3,(H,24,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151326
PNG
(CHEMBL3774413)
Show SMILES CN(c1cccc(OCC(=O)NO)c1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-9-4-3-8-15(16)18(20-12)22(2)13-6-5-7-14(10-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151325
PNG
(CHEMBL3775072)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C21H28N4O3/c1-15-22-19-8-6-7-18(19)21(23-15)25(2)16-10-12-17(13-11-16)28-14-5-3-4-9-20(26)24-27/h10-13,27H,3-9,14H2,1-2H3,(H,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50150955
PNG
(CHEMBL3774993)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-25(21-18-7-4-5-8-19(18)22-15-23-21)16-10-12-17(13-11-16)28-14-6-2-3-9-20(26)24-27/h4-5,7-8,10-13,15,27H,2-3,6,9,14H2,1H3,(H,24,26)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC10 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151378
PNG
(CHEMBL3775521)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50150954
PNG
(CHEMBL3774858)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-24(20-17-6-2-3-7-18(17)21-14-22-20)15-9-11-16(12-10-15)27-13-5-4-8-19(25)23-26/h2-3,6-7,9-12,14,26H,4-5,8,13H2,1H3,(H,23,25)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50150951
PNG
(CHEMBL3774793)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C17H16N4O3/c1-21(17-14-4-2-3-5-15(14)18-11-19-17)12-6-8-13(9-7-12)24-10-16(22)20-23/h2-9,11,23H,10H2,1H3,(H,20,22)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151379
PNG
(CHEMBL3775662)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C20H22N4O3/c1-14-21-18-7-4-3-6-17(18)20(22-14)24(2)15-9-11-16(12-10-15)27-13-5-8-19(25)23-26/h3-4,6-7,9-12,26H,5,8,13H2,1-2H3,(H,23,25)
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n/an/a 1.47E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151381
PNG
(CHEMBL3775409)
Show SMILES CN(c1ccc(OCCCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O3/c1-16-23-20-9-6-5-8-19(20)22(24-16)26(2)17-11-13-18(14-12-17)29-15-7-3-4-10-21(27)25-28/h5-6,8-9,11-14,28H,3-4,7,10,15H2,1-2H3,(H,25,27)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151377
PNG
(CHEMBL3774890)
Show SMILES COc1ccc(cc1OCCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C23H28N4O4/c1-16-24-19-10-7-6-9-18(19)23(25-16)27(2)17-12-13-20(30-3)21(15-17)31-14-8-4-5-11-22(28)26-29/h6-7,9-10,12-13,15,29H,4-5,8,11,14H2,1-3H3,(H,26,28)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151380
PNG
(CHEMBL3775817)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-15-22-19-8-4-3-7-18(19)21(23-15)25(2)16-10-12-17(13-11-16)28-14-6-5-9-20(26)24-27/h3-4,7-8,10-13,27H,5-6,9,14H2,1-2H3,(H,24,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151324
PNG
(CHEMBL3774691)
Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C20H26N4O3/c1-14-21-18-7-5-6-17(18)20(22-14)24(2)15-9-11-16(12-10-15)27-13-4-3-8-19(25)23-26/h9-12,26H,3-8,13H2,1-2H3,(H,23,25)
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n/an/a 1.99E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50150953
PNG
(CHEMBL3775209)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C19H20N4O3/c1-23(19-16-5-2-3-6-17(16)20-13-21-19)14-8-10-15(11-9-14)26-12-4-7-18(24)22-25/h2-3,5-6,8-11,13,25H,4,7,12H2,1H3,(H,22,24)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50150959
PNG
(CHEMBL3775581)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C17H20N4O3/c1-11-18-15-5-3-4-14(15)17(19-11)21(2)12-6-8-13(9-7-12)24-10-16(22)20-23/h6-9,23H,3-5,10H2,1-2H3,(H,20,22)
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n/an/a 2.97E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(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 4.11E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC11 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(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 4.35E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50151376
PNG
(CHEMBL3775654)
Show SMILES COc1ccc(cc1OCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27)
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n/an/a 5.19E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50150960
PNG
(CHEMBL3775269)
Show SMILES CN(c1ccc(OCCCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C19H24N4O3/c1-13-20-17-6-3-5-16(17)19(21-13)23(2)14-8-10-15(11-9-14)26-12-4-7-18(24)22-25/h8-11,25H,3-7,12H2,1-2H3,(H,22,24)
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n/an/a 6.19E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC11 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(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>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

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>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC11 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(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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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(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>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC11 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(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>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC7 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 (unknown origin) using AMC labeled AC-peptide as substrate incubated for 1 hr by fluorescence analysis


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150959
PNG
(CHEMBL3775581)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2CCCc12
Show InChI InChI=1S/C17H20N4O3/c1-11-18-15-5-3-4-14(15)17(19-11)21(2)12-6-8-13(9-7-12)24-10-16(22)20-23/h6-9,23H,3-5,10H2,1-2H3,(H,20,22)
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n/an/an/an/a 51n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151375
PNG
(CHEMBL3774414)
Show SMILES COc1ccc(cc1OCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C21H24N4O4/c1-14-22-17-8-5-4-7-16(17)21(23-14)25(2)15-10-11-18(28-3)19(13-15)29-12-6-9-20(26)24-27/h4-5,7-8,10-11,13,27H,6,9,12H2,1-3H3,(H,24,26)
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n/an/an/an/a 59n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50150951
PNG
(CHEMBL3774793)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1ncnc2ccccc12
Show InChI InChI=1S/C17H16N4O3/c1-21(17-14-4-2-3-5-15(14)18-11-19-17)12-6-8-13(9-7-12)24-10-16(22)20-23/h2-9,11,23H,10H2,1H3,(H,20,22)
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n/an/an/an/a 49n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151378
PNG
(CHEMBL3775521)
Show SMILES CN(c1ccc(OCC(=O)NO)cc1)c1nc(C)nc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-12-19-16-6-4-3-5-15(16)18(20-12)22(2)13-7-9-14(10-8-13)25-11-17(23)21-24/h3-10,24H,11H2,1-2H3,(H,21,23)
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n/an/an/an/a 26n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1455-70 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%