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Compile Data Set for Download or QSAR

Found 379 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 9'   
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 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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1.20n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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3.80n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem 23: 5151-5 (2015)


BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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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4.40n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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5.70n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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 HDAC9


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 9


(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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11n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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11n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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14n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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16n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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19n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 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 9


(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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19n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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21n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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24n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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24n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem 23: 5151-5 (2015)


BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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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24n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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24n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


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



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 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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49n/an/an/an/an/an/an/an/a



S*BIO Pte Ltd.

Curated by ChEMBL


Assay Description
Competitive inhibition of HDAC9 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 9


(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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55n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC9


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 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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65n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of HDAC9


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 9


(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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250n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem 23: 5151-5 (2015)


BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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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390n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem 23: 5151-5 (2015)


BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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509n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem 23: 5151-5 (2015)


BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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 |r|
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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800n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem 23: 5151-5 (2015)


BindingDB Entry DOI: 10.7270/Q2B859V9
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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3.20E+3n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem 23: 5151-5 (2015)


BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 9


(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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9.00E+3n/an/an/an/an/an/an/an/a



St Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


Bioorg Med Chem 23: 5151-5 (2015)


BindingDB Entry DOI: 10.7270/Q2B859V9
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 2.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


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


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 2.30n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 using trifluoroacetyl lysine as substrate


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


BindingDB Entry DOI: 10.7270/Q2057HTZ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 2.80n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


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


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 3.90n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


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


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 4.20n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


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


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044636
PNG
(CHEMBL3309297)
Show SMILES CC1(C)CC(=O)Nc2ccc(cc12)C(=O)NC[C@H]1CC[C@@H](CC1)\C=C\C(=O)NO |r,wU:17.18,wD:20.25,(21.24,-20.14,;22.02,-21.48,;22.78,-20.14,;23.36,-22.25,;23.36,-23.79,;24.69,-24.56,;22.02,-24.56,;20.69,-23.79,;19.36,-24.56,;18.02,-23.79,;18.02,-22.25,;19.36,-21.48,;20.69,-22.25,;16.7,-21.48,;16.7,-19.94,;15.36,-22.25,;14.02,-21.48,;12.69,-22.25,;12.69,-23.8,;11.35,-24.56,;10.01,-23.79,;10.02,-22.25,;11.35,-21.48,;8.67,-24.55,;7.34,-23.78,;6.01,-24.54,;6,-26.08,;4.68,-23.76,;3.34,-24.53,)|
Show InChI InChI=1/C22H29N3O4/c1-22(2)12-20(27)24-18-9-8-16(11-17(18)22)21(28)23-13-15-5-3-14(4-6-15)7-10-19(26)25-29/h7-11,14-15,29H,3-6,12-13H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)/b10-7+/t14-,15-
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n/an/a 5.20n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)


Article DOI: 10.1016/j.bmc.2014.05.001
BindingDB Entry DOI: 10.7270/Q24T6M0V
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by fluorimetric assay


J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272075
PNG
((S)-1-(2,6-Difluorophenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1F)C(=O)NO |r,wU:8.27,(-1.7,-2.72,;-.37,-3.49,;-.37,-5.03,;-1.7,-5.8,;.96,-5.8,;2.3,-5.03,;2.3,-3.49,;.96,-2.72,;.96,-1.18,;-.28,-2.09,;-1.53,-1.18,;-3.07,-1.18,;-3.54,.28,;-2.3,1.18,;-1.05,.28,;.49,.28,;-2.3,2.72,;-3.63,3.49,;-4.97,2.72,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,)|
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n/an/a 12n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272071
PNG
((S)-1-(2-Chlorophenyl)-5-(3-fluoro-2-methylphenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1Cl)C(=O)NO |r|
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n/an/a 15n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272078
PNG
((S)-1-(2-Chloro-6-fluorophenyl)-5-(3-fluoro-2- met...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1c(F)cccc1Cl)C(=O)NO |r,wD:8.8,(-.17,-3.49,;1.37,-3.49,;2.14,-4.83,;1.37,-6.16,;3.68,-4.83,;4.45,-3.49,;3.68,-2.16,;2.14,-2.16,;1.37,-.83,;.12,-1.73,;-1.13,-.83,;-2.67,-.83,;-3.14,.64,;-1.9,1.54,;-.65,.64,;.89,.64,;-1.9,3.08,;-.56,3.85,;.77,3.08,;-.56,5.39,;-1.9,6.16,;-3.23,5.39,;-3.23,3.85,;-4.56,3.08,;2.77,-.2,;4.02,-1.11,;2.93,1.33,;4.56,2.27,)|
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n/an/a 15n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272067
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-l-(2-fluorophenyl)...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1F)C(=O)NO |r|
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n/an/a 17n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272074
PNG
((S)-1-(3-Chloro-2-fluorophenyl)-5-(3-fluoro-2- met...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1cccc(Cl)c1F)C(=O)NO |r|
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n/an/a 17n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272079
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-1-(2-fluoro-6- met...)
Show SMILES Cc1cccc(F)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r,wD:13.22,(-4.97,2.72,;-3.63,3.49,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;-2.3,2.72,;-2.3,1.18,;-3.54,.28,;-3.07,-1.18,;-1.53,-1.18,;-.28,-2.09,;.96,-1.18,;.49,.28,;-1.05,.28,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,;.96,-2.72,;2.3,-3.49,;2.3,-5.03,;.96,-5.8,;-.37,-5.03,;-1.7,-5.8,;-.37,-3.49,;-1.7,-2.72,)|
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n/an/a 19n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
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 20n/an/an/an/an/an/a



Universita` degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay


J Med Chem 54: 2165-82 (2011)


Article DOI: 10.1021/jm101373a
BindingDB Entry DOI: 10.7270/Q2CR5TNZ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 by in vitro deacetylation assay


Nat Chem Biol 6: 25-33 (2009)


Article DOI: 10.1038/nchembio.275
BindingDB Entry DOI: 10.7270/Q2FF3SKD
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins


J Med Chem 54: 4350-64 (2011)


Article DOI: 10.1021/jm2001025
BindingDB Entry DOI: 10.7270/Q2RX9CG0
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272076
PNG
((S)-1-(2,5-Dimethylphenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1ccc(C)c(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
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n/an/a 21n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272066
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-l-(o- to...)
Show SMILES Cc1ccccc1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
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n/an/a 23n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50044641
PNG
(CHEMBL3311465)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C17H23N3O4/c21-15(5-3-1-2-4-6-17(23)20-24)18-13-8-9-14-12(11-13)7-10-16(22)19-14/h8-9,11,24H,1-7,10H2,(H,18,21)(H,19,22)(H,20,23)
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n/an/a 25n/an/an/an/an/an/a



Nippon Pharmaceutical Chemicals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay


Bioorg Med Chem 22: 3720-31 (2014)


Article DOI: 10.1016/j.bmc.2014.05.001
BindingDB Entry DOI: 10.7270/Q24T6M0V
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272158
PNG
((R)-1-Benzyl-4-(3-fluoro-2-methylphenyl)-N-hydroxy...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCc2c1cnn2Cc1ccccc1)C(=O)NO |r|
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n/an/a 27n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272077
PNG
((S)-1-(2,6-Dimethylphenyl)-5-(3-fluoro-2- methylph...)
Show SMILES Cc1cccc(C)c1-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r,wD:13.22,(-4.97,2.72,;-3.63,3.49,;-3.63,5.03,;-2.3,5.8,;-.96,5.03,;-.96,3.49,;.37,2.72,;-2.3,2.72,;-2.3,1.18,;-3.54,.28,;-3.07,-1.18,;-1.53,-1.18,;-.28,-2.09,;.96,-1.18,;.49,.28,;-1.05,.28,;2.3,-.41,;2.3,1.13,;3.63,-1.18,;4.97,-.41,;.96,-2.72,;2.3,-3.49,;2.3,-5.03,;.96,-5.8,;-.37,-5.03,;-1.7,-5.8,;-.37,-3.49,;-1.7,-2.72,)|
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n/an/a 27n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


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



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9


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


Article DOI: 10.1016/j.bmcl.2009.10.118
BindingDB Entry DOI: 10.7270/Q2DB81ZS
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272088
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1-(m- to...)
Show SMILES Cc1cccc(c1)-n1ncc2C[C@@](Cc12)(C(=O)NO)c1cccc(F)c1C |r|
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n/an/a 28n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM272065
PNG
((S)-5-(3-Fluoro-2-methylphenyl)-N-hydroxy-1-phenyl...)
Show SMILES Cc1c(F)cccc1[C@@]1(Cc2cnn(c2C1)-c1ccccc1)C(=O)NO |r|
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n/an/a 28n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent




US Patent US10065948 (2018)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2154K23
More data for this
Ligand-Target Pair
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