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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50000363   
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 6


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 0.291n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 0.795n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247560
PNG
(CHEMBL4063376)
Show SMILES ONC(=O)c1ccc(CNc2cncc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-7-5-12(6-8-13)9-19-16-11-18-10-14-3-1-2-4-15(14)16/h1-8,10-11,19,22H,9H2,(H,20,21)
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n/an/a 2.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247580
PNG
(CHEMBL4091237)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cnccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-6-4-12(5-7-13)10-19-16-3-1-2-14-11-18-9-8-15(14)16/h1-9,11,19,22H,10H2,(H,20,21)
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n/an/a 2.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247582
PNG
(CHEMBL4098833)
Show SMILES ONC(=O)c1ccc(COc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H14N2O3/c20-17(19-21)14-8-6-12(7-9-14)11-22-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,21H,11H2,(H,19,20)
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n/an/a 2.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247570
PNG
(CHEMBL4079874)
Show SMILES ONC(=O)c1ccc(CNc2ccc3cccnc3c2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-5-3-12(4-6-14)11-19-15-8-7-13-2-1-9-18-16(13)10-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 3.30n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247561
PNG
(CHEMBL4085971)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ccncc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-6-4-12(5-7-14)10-19-16-3-1-2-13-8-9-18-11-15(13)16/h1-9,11,19,22H,10H2,(H,20,21)
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n/an/a 3.40n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247592
PNG
(CHEMBL4101436)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cn[nH]c23)cc1
Show InChI InChI=1S/C15H14N4O2/c20-15(19-21)11-6-4-10(5-7-11)8-16-13-3-1-2-12-9-17-18-14(12)13/h1-7,9,16,21H,8H2,(H,17,18)(H,19,20)
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n/an/a 3.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(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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n/an/a 3.60n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247579
PNG
(CHEMBL4073165)
Show SMILES ONC(=O)c1ccc(CNc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-7-5-12(6-8-14)11-18-16-10-9-13-3-1-2-4-15(13)19-16/h1-10,22H,11H2,(H,18,19)(H,20,21)
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n/an/a 4.20n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
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 4.70n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247571
PNG
(CHEMBL4068310)
Show SMILES ONC(=O)c1ccc(CNc2ccc3ncccc3c2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-5-3-12(4-6-13)11-19-15-7-8-16-14(10-15)2-1-9-18-16/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 4.80n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247559
PNG
(CHEMBL4083449)
Show SMILES ONC(=O)c1ccc(CNc2cccc3nccnc23)cc1
Show InChI InChI=1S/C16H14N4O2/c21-16(20-22)12-6-4-11(5-7-12)10-19-14-3-1-2-13-15(14)18-9-8-17-13/h1-9,19,22H,10H2,(H,20,21)
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n/an/a 5.90n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247564
PNG
(CHEMBL4093020)
Show SMILES ONC(=O)c1ccc(NCc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-6-8-15(9-7-13)19-11-14-4-1-3-12-5-2-10-18-16(12)14/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 7.40n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247566
PNG
(CHEMBL4080790)
Show SMILES ONC(=O)c1ccc(CSc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H14N2O2S/c20-17(19-21)14-8-6-12(7-9-14)11-22-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,21H,11H2,(H,19,20)
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n/an/a 9.5n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247562
PNG
(CHEMBL4064437)
Show SMILES Cc1ccc2cccc(NCc3ccc(cc3)C(=O)NO)c2n1
Show InChI InChI=1S/C18H17N3O2/c1-12-5-8-14-3-2-4-16(17(14)20-12)19-11-13-6-9-15(10-7-13)18(22)21-23/h2-10,19,23H,11H2,1H3,(H,21,22)
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n/an/a 11n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247557
PNG
(CHEMBL4082487)
Show SMILES ONC(=O)c1ccc(CNc2cccc3CCCc23)cc1
Show InChI InChI=1S/C17H18N2O2/c20-17(19-21)14-9-7-12(8-10-14)11-18-16-6-2-4-13-3-1-5-15(13)16/h2,4,6-10,18,21H,1,3,5,11H2,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247554
PNG
(CHEMBL4083577)
Show SMILES ONC(=O)c1ccc(CNc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-7-5-12(6-8-13)11-19-16-9-10-18-15-4-2-1-3-14(15)16/h1-10,22H,11H2,(H,18,19)(H,20,21)
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n/an/a 22n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247569
PNG
(CHEMBL4069121)
Show SMILES ONC(=O)\C=C\c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C19H17N3O2/c23-19(22-24)11-10-14-6-8-15(9-7-14)13-21-18-5-1-4-17-16(18)3-2-12-20-17/h1-12,21,24H,13H2,(H,22,23)/b11-10+
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n/an/a 25n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247558
PNG
(CHEMBL4060607)
Show SMILES ONC(=O)c1ccc(CNc2cccc3CCCCc23)cc1
Show InChI InChI=1S/C18H20N2O2/c21-18(20-22)15-10-8-13(9-11-15)12-19-17-7-3-5-14-4-1-2-6-16(14)17/h3,5,7-11,19,22H,1-2,4,6,12H2,(H,20,21)
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n/an/a 25n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247565
PNG
(CHEMBL4065354)
Show SMILES ONC(=O)c1ccc(CCc2cccc3cccnc23)cc1
Show InChI InChI=1S/C18H16N2O2/c21-18(20-22)16-10-7-13(8-11-16)6-9-15-4-1-3-14-5-2-12-19-17(14)15/h1-5,7-8,10-12,22H,6,9H2,(H,20,21)
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n/an/a 42n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247591
PNG
(CHEMBL4096377)
Show SMILES ONC(=O)\C=C\c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C19H17N3O2/c23-18(22-24)11-10-14-6-8-15(9-7-14)13-21-17-5-1-3-16-4-2-12-20-19(16)17/h1-12,21,24H,13H2,(H,22,23)/b11-10+
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n/an/a 42n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
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 48n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal GST-tagged HDAC2 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
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 51n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells u...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
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 58n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf21 cells using RHK-K(Ac)-AMC as subs...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
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 100n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal Strep2-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AM...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247581
PNG
(CHEMBL4073021)
Show SMILES ONC(=O)c1ccc(Nc2cccc3cccnc23)cc1
Show InChI InChI=1S/C16H13N3O2/c20-16(19-21)12-6-8-13(9-7-12)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18,21H,(H,19,20)
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n/an/a 129n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247567
PNG
(CHEMBL4088663)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O3/c21-16(12-6-8-13(9-7-12)17(22)20-23)19-14-5-1-3-11-4-2-10-18-15(11)14/h1-10,23H,(H,19,21)(H,20,22)
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n/an/a 265n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 376n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Strep2-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells using Boc-Lys(TFA)...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247555
PNG
(CHEMBL4061807)
Show SMILES ONC(=O)c1ccc(CNc2cnc3ccccc3c2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-7-5-12(6-8-13)10-18-15-9-14-3-1-2-4-16(14)19-11-15/h1-9,11,18,22H,10H2,(H,20,21)
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n/an/a 403n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247568
PNG
(CHEMBL4060433)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C17H13N3O3/c21-16(11-6-8-12(9-7-11)17(22)20-23)19-15-5-1-4-14-13(15)3-2-10-18-14/h1-10,23H,(H,19,21)(H,20,22)
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n/an/a 525n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 636n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal Strep2-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AM...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 709n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate after 6...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 766n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate after 6...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Strep2-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells using Boc-Lys(TFA)...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50247563
PNG
(CHEMBL4093718)
Show SMILES ONC(=O)c1cccc(CNc2cccc3cccnc23)c1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-6-1-4-12(10-14)11-19-15-8-2-5-13-7-3-9-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged/N-terminal Strep2-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AM...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 using RHKKAc as substrate


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
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 1.40E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate after 6...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin)


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin)


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in insect cells using Boc-K(Ac)-AMC as substrate after 6...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 3.11E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in insect cells using Boc-K(Ac)-AMC as substrate after 6...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 4.44E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


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


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 4.82E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


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


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
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 5.00E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in insect cells using Boc-K(Ac)-AMC as substrate after 6...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 5.48E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells u...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US10858323, Compound 2 | US11207431...)
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 7.00E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


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


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50247553
PNG
(CHEMBL4095667)
Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 7.05E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf21 cells using RHK-K(Ac)-AMC as subs...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))
BDBM50247556
PNG
(CHEMBL4104117)
Show SMILES ONC(=O)c1ccc(CNc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)14-8-6-12(7-9-14)11-19-15-5-1-3-13-4-2-10-18-16(13)15/h1-10,19,22H,11H2,(H,20,21)
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n/an/a 7.75E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells u...


J Med Chem 61: 905-917 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01404
BindingDB Entry DOI: 10.7270/Q2Q81GGB
More data for this
Ligand-Target Pair
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