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PubMed code 28371677

Compile data set for download or QSAR
Found 38 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 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



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50251244
PNG
(CHEMBL4094579)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3cccc(Cl)c3n2)cc1
Show InChI InChI=1S/C20H18ClN3O2/c21-18-3-1-2-16-9-10-17(23-20(16)18)13-22-12-15-6-4-14(5-7-15)8-11-19(25)24-26/h1-11,22,26H,12-13H2,(H,24,25)/b11-8+
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n/an/a 37n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50251243
PNG
(CHEMBL4079007)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C20H19N3O2/c24-20(23-25)12-9-15-5-7-16(8-6-15)13-21-14-18-11-10-17-3-1-2-4-19(17)22-18/h1-12,21,25H,13-14H2,(H,23,24)/b12-9+
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n/an/a 50n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50251243
PNG
(CHEMBL4079007)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C20H19N3O2/c24-20(23-25)12-9-15-5-7-16(8-6-15)13-21-14-18-11-10-17-3-1-2-4-19(17)22-18/h1-12,21,25H,13-14H2,(H,23,24)/b12-9+
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n/an/a 73n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50251244
PNG
(CHEMBL4094579)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3cccc(Cl)c3n2)cc1
Show InChI InChI=1S/C20H18ClN3O2/c21-18-3-1-2-16-9-10-17(23-20(16)18)13-22-12-15-6-4-14(5-7-15)8-11-19(25)24-26/h1-11,22,26H,12-13H2,(H,24,25)/b11-8+
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n/an/a 95n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
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 106n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251243
PNG
(CHEMBL4079007)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C20H19N3O2/c24-20(23-25)12-9-15-5-7-16(8-6-15)13-21-14-18-11-10-17-3-1-2-4-19(17)22-18/h1-12,21,25H,13-14H2,(H,23,24)/b12-9+
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n/an/a 138n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(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 159n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251251
PNG
(CHEMBL4067118)
Show SMILES COc1cccc2ccc(CNCc3ccc(\C=C\C(=O)NO)cc3)nc12
Show InChI InChI=1S/C21H21N3O3/c1-27-19-4-2-3-17-10-11-18(23-21(17)19)14-22-13-16-7-5-15(6-8-16)9-12-20(25)24-26/h2-12,22,26H,13-14H2,1H3,(H,24,25)/b12-9+
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n/an/a 206n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251252
PNG
(CHEMBL4089320)
Show SMILES COc1ccc2nc(CNCc3ccc(\C=C\C(=O)NO)cc3)ccc2c1
Show InChI InChI=1S/C21H21N3O3/c1-27-19-9-10-20-17(12-19)7-8-18(23-20)14-22-13-16-4-2-15(3-5-16)6-11-21(25)24-26/h2-12,22,26H,13-14H2,1H3,(H,24,25)/b11-6+
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n/an/a 236n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251244
PNG
(CHEMBL4094579)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3cccc(Cl)c3n2)cc1
Show InChI InChI=1S/C20H18ClN3O2/c21-18-3-1-2-16-9-10-17(23-20(16)18)13-22-12-15-6-4-14(5-7-15)8-11-19(25)24-26/h1-11,22,26H,12-13H2,(H,24,25)/b11-8+
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n/an/a 275n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251254
PNG
(CHEMBL4097021)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3cc(Cl)ccc3n2)cc1
Show InChI InChI=1S/C20H18ClN3O2/c21-17-7-9-19-16(11-17)6-8-18(23-19)13-22-12-15-3-1-14(2-4-15)5-10-20(25)24-26/h1-11,22,26H,12-13H2,(H,24,25)/b10-5+
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n/an/a 305n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251253
PNG
(CHEMBL4068133)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3cc(Br)ccc3n2)cc1
Show InChI InChI=1S/C20H18BrN3O2/c21-17-7-9-19-16(11-17)6-8-18(23-19)13-22-12-15-3-1-14(2-4-15)5-10-20(25)24-26/h1-11,22,26H,12-13H2,(H,24,25)/b10-5+
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n/an/a 375n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50251243
PNG
(CHEMBL4079007)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C20H19N3O2/c24-20(23-25)12-9-15-5-7-16(8-6-15)13-21-14-18-11-10-17-3-1-2-4-19(17)22-18/h1-12,21,25H,13-14H2,(H,23,24)/b12-9+
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n/an/a 442n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251250
PNG
(CHEMBL4099070)
Show SMILES ONC(=O)\C=C\c1cccc(CNCc2ccc3cc(Br)ccc3n2)c1
Show InChI InChI=1S/C20H18BrN3O2/c21-17-6-8-19-16(11-17)5-7-18(23-19)13-22-12-15-3-1-2-14(10-15)4-9-20(25)24-26/h1-11,22,26H,12-13H2,(H,24,25)/b9-4+
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n/an/a 559n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251259
PNG
(CHEMBL4062384)
Show SMILES COc1ccc2nc(CN(C(=O)Cc3ccc(\C=C\C(=O)NO)cc3)c3ccccc3)ccc2c1
Show InChI InChI=1S/C28H25N3O4/c1-35-25-14-15-26-22(18-25)12-13-23(29-26)19-31(24-5-3-2-4-6-24)28(33)17-21-9-7-20(8-10-21)11-16-27(32)30-34/h2-16,18,34H,17,19H2,1H3,(H,30,32)/b16-11+
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n/an/a 560n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251260
PNG
(CHEMBL4100551)
Show SMILES ONC(=O)\C=C\c1ccc(CC(=O)N(Cc2ccc3ccccc3n2)c2ccccc2)cc1
Show InChI InChI=1S/C27H23N3O3/c31-26(29-33)17-14-20-10-12-21(13-11-20)18-27(32)30(24-7-2-1-3-8-24)19-23-16-15-22-6-4-5-9-25(22)28-23/h1-17,33H,18-19H2,(H,29,31)/b17-14+
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n/an/a 720n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251261
PNG
(CHEMBL4087984)
Show SMILES COc1cccc2ccc(CN(C(=O)c3ccc(\C=C\C(=O)NO)cc3)c3ccccc3)nc12
Show InChI InChI=1S/C27H23N3O4/c1-34-24-9-5-6-20-15-16-22(28-26(20)24)18-30(23-7-3-2-4-8-23)27(32)21-13-10-19(11-14-21)12-17-25(31)29-33/h2-17,33H,18H2,1H3,(H,29,31)/b17-12+
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PubMed
n/an/a 724n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251271
PNG
(CHEMBL4082580)
Show SMILES COc1ccc(cc1)N(Cc1ccc2ccccc2n1)C(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C27H23N3O4/c1-34-24-15-13-23(14-16-24)30(18-22-12-11-20-4-2-3-5-25(20)28-22)27(32)21-9-6-19(7-10-21)8-17-26(31)29-33/h2-17,33H,18H2,1H3,(H,29,31)/b17-8+
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n/an/a 744n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251255
PNG
(CHEMBL4065152)
Show SMILES ONC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C25H23N3O2/c29-25(27-30)22-12-10-20(11-13-22)17-28(16-19-6-2-1-3-7-19)18-23-15-14-21-8-4-5-9-24(21)26-23/h1-15,30H,16-18H2,(H,27,29)
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PubMed
n/an/a 836n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50251244
PNG
(CHEMBL4094579)
Show SMILES ONC(=O)\C=C\c1ccc(CNCc2ccc3cccc(Cl)c3n2)cc1
Show InChI InChI=1S/C20H18ClN3O2/c21-18-3-1-2-16-9-10-17(23-20(16)18)13-22-12-15-6-4-14(5-7-15)8-11-19(25)24-26/h1-11,22,26H,12-13H2,(H,24,25)/b11-8+
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PubMed
n/an/a 911n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251249
PNG
(CHEMBL4104742)
Show SMILES ONC(=O)\C=C\c1ccc(CN(Cc2ccccc2)Cc2ccc3cc(Cl)ccc3n2)cc1
Show InChI InChI=1S/C27H24ClN3O2/c28-24-12-14-26-23(16-24)11-13-25(29-26)19-31(17-21-4-2-1-3-5-21)18-22-8-6-20(7-9-22)10-15-27(32)30-33/h1-16,33H,17-19H2,(H,30,32)/b15-10+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251246
PNG
(CHEMBL4063479)
Show SMILES ONC(=O)\C=C\c1cccc(CN(Cc2ccccc2)Cc2ccc3cc(Br)ccc3n2)c1
Show InChI InChI=1S/C27H24BrN3O2/c28-24-11-13-26-23(16-24)10-12-25(29-26)19-31(17-21-5-2-1-3-6-21)18-22-8-4-7-20(15-22)9-14-27(32)30-33/h1-16,33H,17-19H2,(H,30,32)/b14-9+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251275
PNG
(CHEMBL4086866)
Show SMILES ONC(=O)\C=C\c1ccc(CN(Cc2ccccc2)Cc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H25N3O2/c31-27(29-32)17-14-21-10-12-23(13-11-21)19-30(18-22-6-2-1-3-7-22)20-25-16-15-24-8-4-5-9-26(24)28-25/h1-17,32H,18-20H2,(H,29,31)/b17-14+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251272
PNG
(CHEMBL4069390)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(=O)N(Cc1ccc2ccccc2n1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H20BrN3O3/c27-21-11-14-23(15-12-21)30(17-22-13-10-19-3-1-2-4-24(19)28-22)26(32)20-8-5-18(6-9-20)7-16-25(31)29-33/h1-16,33H,17H2,(H,29,31)/b16-7+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251273
PNG
(CHEMBL4090418)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(=O)N(Cc1ccc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C26H21N3O3/c30-25(28-32)17-12-19-10-13-21(14-11-19)26(31)29(23-7-2-1-3-8-23)18-22-16-15-20-6-4-5-9-24(20)27-22/h1-17,32H,18H2,(H,28,30)/b17-12+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251258
PNG
(CHEMBL4084100)
Show SMILES ONC(=O)c1ccc(CNCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C18H17N3O2/c22-18(21-23)15-7-5-13(6-8-15)11-19-12-16-10-9-14-3-1-2-4-17(14)20-16/h1-10,19,23H,11-12H2,(H,21,22)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251256
PNG
(CHEMBL4092820)
Show SMILES COc1ccc2nc(CNCc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C19H19N3O3/c1-25-17-8-9-18-15(10-17)6-7-16(21-18)12-20-11-13-2-4-14(5-3-13)19(23)22-24/h2-10,20,24H,11-12H2,1H3,(H,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251264
PNG
(CHEMBL4059688)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(=O)N(Cc1ccc2cc(Br)ccc2n1)c1ccccc1
Show InChI InChI=1S/C26H20BrN3O3/c27-21-12-14-24-20(16-21)11-13-22(28-24)17-30(23-4-2-1-3-5-23)26(32)19-9-6-18(7-10-19)8-15-25(31)29-33/h1-16,33H,17H2,(H,29,31)/b15-8+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251257
PNG
(CHEMBL4103018)
Show SMILES ONC(=O)c1ccc(CNCc2ccc3cc(Br)ccc3n2)cc1
Show InChI InChI=1S/C18H16BrN3O2/c19-15-6-8-17-14(9-15)5-7-16(21-17)11-20-10-12-1-3-13(4-2-12)18(23)22-24/h1-9,20,24H,10-11H2,(H,22,23)
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251289
PNG
(CHEMBL4073740)
Show SMILES ONC(=O)\C=C\c1ccc(CC(=O)N(Cc2ccc3cc(Br)ccc3n2)c2ccccc2)cc1
Show InChI InChI=1S/C27H22BrN3O3/c28-22-12-14-25-21(17-22)11-13-23(29-25)18-31(24-4-2-1-3-5-24)27(33)16-20-8-6-19(7-9-20)10-15-26(32)30-34/h1-15,17,34H,16,18H2,(H,30,32)/b15-10+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251248
PNG
(CHEMBL4090250)
Show SMILES ONC(=O)\C=C\c1ccc(CN(Cc2ccccc2)Cc2ccc3cc(Br)ccc3n2)cc1
Show InChI InChI=1S/C27H24BrN3O2/c28-24-12-14-26-23(16-24)11-13-25(29-26)19-31(17-21-4-2-1-3-5-21)18-22-8-6-20(7-9-22)10-15-27(32)30-33/h1-16,33H,17-19H2,(H,30,32)/b15-10+
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251274
PNG
(CHEMBL4072100)
Show SMILES CCCCCCN(Cc1ccc(\C=C\C(=O)NO)cc1)Cc1ccc2cc(Br)ccc2n1
Show InChI InChI=1S/C26H30BrN3O2/c1-2-3-4-5-16-30(18-21-8-6-20(7-9-21)10-15-26(31)29-32)19-24-13-11-22-17-23(27)12-14-25(22)28-24/h6-15,17,32H,2-5,16,18-19H2,1H3,(H,29,31)/b15-10+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251245
PNG
(CHEMBL4091336)
Show SMILES CCCCCCN(Cc1cccc(\C=C\C(=O)NO)c1)Cc1ccc2cc(Br)ccc2n1
Show InChI InChI=1S/C26H30BrN3O2/c1-2-3-4-5-15-30(18-21-8-6-7-20(16-21)9-14-26(31)29-32)19-24-12-10-22-17-23(27)11-13-25(22)28-24/h6-14,16-17,32H,2-5,15,18-19H2,1H3,(H,29,31)/b14-9+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251247
PNG
(CHEMBL4062237)
Show SMILES COc1ccc2nc(CN(Cc3ccccc3)Cc3ccc(\C=C\C(=O)NO)cc3)ccc2c1
Show InChI InChI=1S/C28H27N3O3/c1-34-26-14-15-27-24(17-26)12-13-25(29-27)20-31(18-22-5-3-2-4-6-22)19-23-9-7-21(8-10-23)11-16-28(32)30-33/h2-17,33H,18-20H2,1H3,(H,30,32)/b16-11+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251290
PNG
(CHEMBL4060708)
Show SMILES COc1ccc(cc1)N(Cc1ccc2cccc(Cl)c2n1)C(=O)c1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C27H22ClN3O4/c1-35-23-14-12-22(13-15-23)31(17-21-11-10-19-3-2-4-24(28)26(19)29-21)27(33)20-8-5-18(6-9-20)7-16-25(32)30-34/h2-16,34H,17H2,1H3,(H,30,32)/b16-7+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50251281
PNG
(CHEMBL4085067)
Show SMILES ONC(=O)c1ccc(CNCc2ccc3cccc(Cl)c3n2)cc1
Show InChI InChI=1S/C18H16ClN3O2/c19-16-3-1-2-13-8-9-15(21-17(13)16)11-20-10-12-4-6-14(7-5-12)18(23)22-24/h1-9,20,24H,10-11H2,(H,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cell nuclear extract using COLOR DE LYS as substrate pretreated for 5 mins followed by substrate addition measure...

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
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 7.47E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44, West Culture Road, 250012 Jinan, Shandong, P

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using substrate after 30 mins by fluorometric analysis

Eur J Med Chem 133: 11-23 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.064
BindingDB Entry DOI: 10.7270/Q2PV6NTB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%