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PubMed code 26216016

Compile data set for download or QSAR
Found 30 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 (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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Article
PubMed
n/an/a 193n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498513
PNG
(CHEMBL3605888)
Show SMILES ONC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C18H17N3O6S/c22-16(19-13-9-7-12(8-10-13)17(23)20-25)6-3-11-21-18(24)14-4-1-2-5-15(14)28(21,26)27/h1-2,4-5,7-10,25H,3,6,11H2,(H,19,22)(H,20,23)
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n/an/a 233n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498507
PNG
(CHEMBL3605884)
Show SMILES ONC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C17H15N3O6S/c21-15(18-12-7-5-11(6-8-12)16(22)19-24)9-10-20-17(23)13-3-1-2-4-14(13)27(20,25)26/h1-8,24H,9-10H2,(H,18,21)(H,19,22)
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n/an/a 300n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498512
PNG
(CHEMBL3605892)
Show SMILES ONC(=O)c1ccc(NC(=O)CCCCN2C(=O)c3ccc(I)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C19H18IN3O6S/c20-13-6-9-15-16(11-13)30(28,29)23(19(15)26)10-2-1-3-17(24)21-14-7-4-12(5-8-14)18(25)22-27/h4-9,11,27H,1-3,10H2,(H,21,24)(H,22,25)
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498510
PNG
(CHEMBL3605901)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccc(NC(=O)c4ccccc4)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C22H17N3O6S/c26-20(15-4-2-1-3-5-15)23-17-10-11-18-19(12-17)32(30,31)25(22(18)28)13-14-6-8-16(9-7-14)21(27)24-29/h1-12,29H,13H2,(H,23,26)(H,24,27)
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498516
PNG
(CHEMBL3605900)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccc(cc3S2(=O)=O)-c2ccccc2)cc1
Show InChI InChI=1S/C21H16N2O5S/c24-20(22-26)16-8-6-14(7-9-16)13-23-21(25)18-11-10-17(12-19(18)29(23,27)28)15-4-2-1-3-5-15/h1-12,26H,13H2,(H,22,24)
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n/an/a 386n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498518
PNG
(CHEMBL3605890)
Show SMILES ONC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccc(I)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C18H16IN3O6S/c19-12-5-8-14-15(10-12)29(27,28)22(18(14)25)9-1-2-16(23)20-13-6-3-11(4-7-13)17(24)21-26/h3-8,10,26H,1-2,9H2,(H,20,23)(H,21,24)
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n/an/a 419n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498515
PNG
(CHEMBL3605886)
Show SMILES ONC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc(I)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C17H14IN3O6S/c18-11-3-6-13-14(9-11)28(26,27)21(17(13)24)8-7-15(22)19-12-4-1-10(2-5-12)16(23)20-25/h1-6,9,25H,7-8H2,(H,19,22)(H,20,23)
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n/an/a 523n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498498
PNG
(CHEMBL3605906)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccc(NC(=O)Cc4ccccc4)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C23H19N3O6S/c27-21(12-15-4-2-1-3-5-15)24-18-10-11-19-20(13-18)33(31,32)26(23(19)29)14-16-6-8-17(9-7-16)22(28)25-30/h1-11,13,30H,12,14H2,(H,24,27)(H,25,28)
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n/an/a 530n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498496
PNG
(CHEMBL3605905)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C22H16FN3O6S/c23-16-7-5-14(6-8-16)20(27)24-17-9-10-18-19(11-17)33(31,32)26(22(18)29)12-13-1-3-15(4-2-13)21(28)25-30/h1-11,30H,12H2,(H,24,27)(H,25,28)
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n/an/a 646n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498509
PNG
(CHEMBL3605907)
Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccc3C(=O)N(Cc4ccc(cc4)C(=O)NO)S(=O)(=O)c3c2)cc1
Show InChI InChI=1S/C25H21N3O6S/c1-16-2-4-17(5-3-16)8-13-23(29)26-20-11-12-21-22(14-20)35(33,34)28(25(21)31)15-18-6-9-19(10-7-18)24(30)27-32/h2-14,32H,15H2,1H3,(H,26,29)(H,27,30)/b13-8+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498501
PNG
(CHEMBL3605899)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccc(I)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H11IN2O5S/c16-11-5-6-12-13(7-11)24(22,23)18(15(12)20)8-9-1-3-10(4-2-9)14(19)17-21/h1-7,21H,8H2,(H,17,19)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498511
PNG
(CHEMBL3605897)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C15H12N2O5S/c18-14(16-20)11-7-5-10(6-8-11)9-17-15(19)12-3-1-2-4-13(12)23(17,21)22/h1-8,20H,9H2,(H,16,18)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498499
PNG
(CHEMBL3605904)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccc(NC(=O)c4ccc(cc4)C(F)(F)F)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C23H16F3N3O6S/c24-23(25,26)16-7-5-14(6-8-16)20(30)27-17-9-10-18-19(11-17)36(34,35)29(22(18)32)12-13-1-3-15(4-2-13)21(31)28-33/h1-11,33H,12H2,(H,27,30)(H,28,31)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498505
PNG
(CHEMBL3605891)
Show SMILES ONC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccc(cc3S2(=O)=O)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O6S/c28-22(25-19-11-8-17(9-12-19)23(29)26-31)7-4-14-27-24(30)20-13-10-18(15-21(20)34(27,32)33)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,31H,4,7,14H2,(H,25,28)(H,26,29)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498517
PNG
(CHEMBL3605889)
Show SMILES ONC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccc(cc3S2(=O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H16N4O8S/c23-16(19-12-5-3-11(4-6-12)17(24)20-26)2-1-9-21-18(25)14-8-7-13(22(27)28)10-15(14)31(21,29)30/h3-8,10,26H,1-2,9H2,(H,19,23)(H,20,24)
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n/an/a 1.66E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498495
PNG
(CHEMBL3605887)
Show SMILES ONC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc(cc3S2(=O)=O)-c2ccccc2)cc1
Show InChI InChI=1S/C23H19N3O6S/c27-21(24-18-9-6-16(7-10-18)22(28)25-30)12-13-26-23(29)19-11-8-17(14-20(19)33(26,31)32)15-4-2-1-3-5-15/h1-11,14,30H,12-13H2,(H,24,27)(H,25,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498500
PNG
(CHEMBL3605903)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2C(=O)N(Cc3ccc(cc3)C(=O)NO)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H23N3O9S/c1-35-19-10-16(11-20(36-2)22(19)37-3)23(29)26-17-8-9-18-21(12-17)38(33,34)28(25(18)31)13-14-4-6-15(7-5-14)24(30)27-32/h4-12,32H,13H2,1-3H3,(H,26,29)(H,27,30)
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n/an/a 1.71E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498506
PNG
(CHEMBL3605885)
Show SMILES ONC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc(cc3S2(=O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H14N4O8S/c22-15(18-11-3-1-10(2-4-11)16(23)19-25)7-8-20-17(24)13-6-5-12(21(26)27)9-14(13)30(20,28)29/h1-6,9,25H,7-8H2,(H,18,22)(H,19,23)
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n/an/a 2.02E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498522
PNG
(CHEMBL3605896)
Show SMILES ONC(=O)c1ccc(CNC(=O)CCCCCN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C21H23N3O6S/c25-19(22-14-15-9-11-16(12-10-15)20(26)23-28)8-2-1-5-13-24-21(27)17-6-3-4-7-18(17)31(24,29)30/h3-4,6-7,9-12,28H,1-2,5,8,13-14H2,(H,22,25)(H,23,26)
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n/an/a 2.65E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498503
PNG
(CHEMBL3605894)
Show SMILES ONC(=O)c1ccc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C18H17N3O6S/c22-16(19-11-12-5-7-13(8-6-12)17(23)20-25)9-10-21-18(24)14-3-1-2-4-15(14)28(21,26)27/h1-8,25H,9-11H2,(H,19,22)(H,20,23)
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n/an/a 2.79E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498494
PNG
(CHEMBL3605895)
Show SMILES ONC(=O)c1ccc(CNC(=O)CCCCN2C(=O)c3ccccc3S2(=O)=O)cc1
Show InChI InChI=1S/C20H21N3O6S/c24-18(21-13-14-8-10-15(11-9-14)19(25)22-27)7-3-4-12-23-20(26)16-5-1-2-6-17(16)30(23,28)29/h1-2,5-6,8-11,27H,3-4,7,12-13H2,(H,21,24)(H,22,25)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498504
PNG
(CHEMBL3605893)
Show SMILES ONC(=O)c1ccc(NC(=O)CCCCN2C(=O)c3ccc(cc3S2(=O)=O)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O6S/c29-23(26-20-12-9-18(10-13-20)24(30)27-32)8-4-5-15-28-25(31)21-14-11-19(16-22(21)35(28,33)34)17-6-2-1-3-7-17/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H,26,29)(H,27,30)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498497
PNG
(CHEMBL3605880)
Show SMILES ONC(=O)c1cccc(NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C18H17N3O6S/c22-16(19-13-6-3-5-12(11-13)17(23)20-25)9-4-10-21-18(24)14-7-1-2-8-15(14)28(21,26)27/h1-3,5-8,11,25H,4,9-10H2,(H,19,22)(H,20,23)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498508
PNG
(CHEMBL3605883)
Show SMILES ONC(=O)c1cccc(NC(=O)CCCCCN2C(=O)c3ccc(cc3S2(=O)=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C20H20N4O8S/c25-18(21-14-6-4-5-13(11-14)19(26)22-28)7-2-1-3-10-23-20(27)16-9-8-15(24(29)30)12-17(16)33(23,31)32/h4-6,8-9,11-12,28H,1-3,7,10H2,(H,21,25)(H,22,26)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498514
PNG
(CHEMBL3605882)
Show SMILES ONC(=O)c1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C20H21N3O6S/c24-18(21-15-8-6-7-14(13-15)19(25)22-27)11-2-1-5-12-23-20(26)16-9-3-4-10-17(16)30(23,28)29/h3-4,6-10,13,27H,1-2,5,11-12H2,(H,21,24)(H,22,25)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498502
PNG
(CHEMBL3605898)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccc(cc3S2(=O)=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11N3O7S/c19-14(16-21)10-3-1-9(2-4-10)8-17-15(20)12-6-5-11(18(22)23)7-13(12)26(17,24)25/h1-7,21H,8H2,(H,16,19)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498521
PNG
(CHEMBL3605879)
Show SMILES ONC(=O)c1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C17H15N3O6S/c21-15(18-12-5-3-4-11(10-12)16(22)19-24)8-9-20-17(23)13-6-1-2-7-14(13)27(20,25)26/h1-7,10,24H,8-9H2,(H,18,21)(H,19,22)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498519
PNG
(CHEMBL3605902)
Show SMILES ONC(=O)c1ccc(CN2C(=O)c3ccc(NC(=O)c4ccc(cc4)-c4ccccc4)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C28H21N3O6S/c32-26(21-12-10-20(11-13-21)19-4-2-1-3-5-19)29-23-14-15-24-25(16-23)38(36,37)31(28(24)34)17-18-6-8-22(9-7-18)27(33)30-35/h1-16,35H,17H2,(H,29,32)(H,30,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2)


(Homo sapiens (Human))		BDBM50498520
PNG
(CHEMBL3605881)
Show SMILES ONC(=O)c1cccc(NC(=O)CCCCN2C(=O)c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C19H19N3O6S/c23-17(20-14-7-5-6-13(12-14)18(24)21-26)10-3-4-11-22-19(25)15-8-1-2-9-16(15)29(22,27)28/h1-2,5-9,12,26H,3-4,10-11H2,(H,20,23)(H,21,24)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/2 in human HeLa cells nuclear extracts using acetylated histone peptide as substrate after 30 mins by Color de Lys assay

Bioorg Med Chem 23: 5774-81 (2015)


Article DOI: 10.1016/j.bmc.2015.07.008
BindingDB Entry DOI: 10.7270/Q2CZ3B56
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%