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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50045748   
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 3


(Homo sapiens (Human))
BDBM50079474
PNG
(CHEMBL3417215)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/s2
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079474
PNG
(CHEMBL3417215)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/s2
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East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079474
PNG
(CHEMBL3417215)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/s2
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a>20n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 170n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079499
PNG
(CHEMBL3417212)
Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/s2
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n/an/a 190n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079475
PNG
(CHEMBL3417214)
Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/s2
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n/an/a 270n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 360n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079497
PNG
(CHEMBL3417210)
Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H35N3O7S/c1-45-31-16-13-25-26(20-30(31)42)28(15-12-24-19-32(46-2)35(47-3)36(48-4)34(24)25)40-37(43)21-7-9-22(10-8-21)38(44)41-29-18-23(11-14-27(29)39)33-6-5-17-49-33/h5-11,13-14,16-20,28H,12,15,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/s2
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n/an/a 380n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM24624
PNG
(CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)
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n/an/a 390n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50079475
PNG
(CHEMBL3417214)
Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/s2
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n/an/a 1.47E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50079499
PNG
(CHEMBL3417212)
Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/s2
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n/an/a 1.49E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079499
PNG
(CHEMBL3417212)
Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/s2
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n/an/a 1.50E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50079497
PNG
(CHEMBL3417210)
Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H35N3O7S/c1-45-31-16-13-25-26(20-30(31)42)28(15-12-24-19-32(46-2)35(47-3)36(48-4)34(24)25)40-37(43)21-7-9-22(10-8-21)38(44)41-29-18-23(11-14-27(29)39)33-6-5-17-49-33/h5-11,13-14,16-20,28H,12,15,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/s2
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n/an/a 1.97E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079497
PNG
(CHEMBL3417210)
Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H35N3O7S/c1-45-31-16-13-25-26(20-30(31)42)28(15-12-24-19-32(46-2)35(47-3)36(48-4)34(24)25)40-37(43)21-7-9-22(10-8-21)38(44)41-29-18-23(11-14-27(29)39)33-6-5-17-49-33/h5-11,13-14,16-20,28H,12,15,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/s2
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n/an/a 2.24E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079475
PNG
(CHEMBL3417214)
Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/s2
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n/an/a 3.32E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079498
PNG
(CHEMBL3417211)
Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H33N3O7/c1-41-28-15-13-22-23(18-27(28)38)25(14-12-19-17-29(42-2)31(43-3)32(44-4)30(19)22)36-33(39)20-8-7-9-21(16-20)34(40)37-26-11-6-5-10-24(26)35/h5-11,13,15-18,25H,12,14,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/s2
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n/an/a 4.91E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079494
PNG
(CHEMBL3417292)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H37N3O6S/c1-44-32-15-12-26-27(20-31(32)42)29(14-11-24-19-33(45-2)36(46-3)37(47-4)35(24)26)40-21-22-7-5-8-25(17-22)38(43)41-30-18-23(10-13-28(30)39)34-9-6-16-48-34/h5-10,12-13,15-20,29,40H,11,14,21,39H2,1-4H3,(H,41,43)/t29-/s2
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n/an/a 5.41E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079493
PNG
(CHEMBL3417213)
Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/s2
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n/an/a 6.73E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079498
PNG
(CHEMBL3417211)
Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H33N3O7/c1-41-28-15-13-22-23(18-27(28)38)25(14-12-19-17-29(42-2)31(43-3)32(44-4)30(19)22)36-33(39)20-8-7-9-21(16-20)34(40)37-26-11-6-5-10-24(26)35/h5-11,13,15-18,25H,12,14,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/s2
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n/an/a 9.62E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50079496
PNG
(CHEMBL3417209)
Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H33N3O7/c1-41-28-16-14-22-23(18-27(28)38)25(15-13-21-17-29(42-2)31(43-3)32(44-4)30(21)22)36-33(39)19-9-11-20(12-10-19)34(40)37-26-8-6-5-7-24(26)35/h5-12,14,16-18,25H,13,15,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/s2
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n/an/a 1.04E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50079498
PNG
(CHEMBL3417211)
Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H33N3O7/c1-41-28-15-13-22-23(18-27(28)38)25(14-12-19-17-29(42-2)31(43-3)32(44-4)30(19)22)36-33(39)20-8-7-9-21(16-20)34(40)37-26-11-6-5-10-24(26)35/h5-11,13,15-18,25H,12,14,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/s2
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n/an/a 1.08E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50079493
PNG
(CHEMBL3417213)
Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/s2
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n/an/a 1.12E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50079496
PNG
(CHEMBL3417209)
Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H33N3O7/c1-41-28-16-14-22-23(18-27(28)38)25(15-13-21-17-29(42-2)31(43-3)32(44-4)30(21)22)36-33(39)19-9-11-20(12-10-19)34(40)37-26-8-6-5-7-24(26)35/h5-12,14,16-18,25H,13,15,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/s2
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n/an/a 1.21E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079493
PNG
(CHEMBL3417213)
Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/s2
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n/an/a 1.25E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079496
PNG
(CHEMBL3417209)
Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C34H33N3O7/c1-41-28-16-14-22-23(18-27(28)38)25(15-13-21-17-29(42-2)31(43-3)32(44-4)30(21)22)36-33(39)19-9-11-20(12-10-19)34(40)37-26-8-6-5-7-24(26)35/h5-12,14,16-18,25H,13,15,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/s2
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n/an/a 1.59E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50079494
PNG
(CHEMBL3417292)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H37N3O6S/c1-44-32-15-12-26-27(20-31(32)42)29(14-11-24-19-33(45-2)36(46-3)37(47-4)35(24)26)40-21-22-7-5-8-25(17-22)38(43)41-30-18-23(10-13-28(30)39)34-9-6-16-48-34/h5-10,12-13,15-20,29,40H,11,14,21,39H2,1-4H3,(H,41,43)/t29-/s2
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n/an/a 1.97E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50079494
PNG
(CHEMBL3417292)
Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1/C38H37N3O6S/c1-44-32-15-12-26-27(20-31(32)42)29(14-11-24-19-33(45-2)36(46-3)37(47-4)35(24)26)40-21-22-7-5-8-25(17-22)38(43)41-30-18-23(10-13-28(30)39)34-9-6-16-48-34/h5-10,12-13,15-20,29,40H,11,14,21,39H2,1-4H3,(H,41,43)/t29-/s2
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n/an/a 2.55E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...


Eur J Med Chem 95: 127-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.035
BindingDB Entry DOI: 10.7270/Q24J0GVC
More data for this
Ligand-Target Pair