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PubMed code 22738629

Compile data set for download or QSAR
Found 47 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))		BDBM50387321
PNG
(CHEMBL2046610)
Show SMILES ONC(=O)c1nc2CCN(Cc2s1)C(=O)c1ccc(NC(=O)c2ccc(s2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O4S2/c30-22(20-11-10-19(34-20)15-4-2-1-3-5-15)26-17-8-6-16(7-9-17)25(32)29-13-12-18-21(14-29)35-24(27-18)23(31)28-33/h1-11,33H,12-14H2,(H,26,30)(H,28,31)
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n/an/a 120n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
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 120n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 140n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
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 180n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387319
PNG
(CHEMBL2046608)
Show SMILES ONC(=O)c1nc2CCN(Cc2s1)C(=O)c1ccc(NC(=O)CCC=C)cc1
Show InChI InChI=1S/C19H20N4O4S/c1-2-3-4-16(24)20-13-7-5-12(6-8-13)19(26)23-10-9-14-15(11-23)28-18(21-14)17(25)22-27/h2,5-8,27H,1,3-4,9-11H2,(H,20,24)(H,22,25)
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n/an/a 390n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387320
PNG
(CHEMBL2046609)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)N2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C24H22N4O5S/c1-33-18-9-2-15(3-10-18)4-11-21(29)25-17-7-5-16(6-8-17)24(31)28-13-12-19-20(14-28)34-23(26-19)22(30)27-32/h2-11,32H,12-14H2,1H3,(H,25,29)(H,27,30)/b11-4+
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n/an/a 450n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387315
PNG
(CHEMBL2046620)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)\C=C\c2ccccc2)nc1
Show InChI InChI=1S/C23H23N5O3S/c1-15(28-12-11-18-19(14-28)32-23(25-18)22(30)27-31)17-8-9-20(24-13-17)26-21(29)10-7-16-5-3-2-4-6-16/h2-10,13,15,31H,11-12,14H2,1H3,(H,27,30)(H,24,26,29)/b10-7+
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n/an/a 1.07E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387318
PNG
(CHEMBL2046623)
Show SMILES CC(C)N(C(=O)\C=C\c1ccccc1)c1cccc(CN2CCc3nc(sc3C2)C(=O)NO)c1
Show InChI InChI=1S/C26H28N4O3S/c1-18(2)30(24(31)12-11-19-7-4-3-5-8-19)21-10-6-9-20(15-21)16-29-14-13-22-23(17-29)34-26(27-22)25(32)28-33/h3-12,15,18,33H,13-14,16-17H2,1-2H3,(H,28,32)/b12-11+
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n/an/a 1.22E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387317
PNG
(CHEMBL2046622)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)c2ccc(s2)-c2ccccc2)nc1
Show InChI InChI=1S/C25H23N5O3S2/c1-15(30-12-11-18-21(14-30)35-25(27-18)24(32)29-33)17-7-10-22(26-13-17)28-23(31)20-9-8-19(34-20)16-5-3-2-4-6-16/h2-10,13,15,33H,11-12,14H2,1H3,(H,29,32)(H,26,28,31)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387316
PNG
(CHEMBL2046621)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cn2)C(C)N2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-15(29-12-11-19-20(14-29)34-24(26-19)23(31)28-32)17-6-9-21(25-13-17)27-22(30)10-5-16-3-7-18(33-2)8-4-16/h3-10,13,15,32H,11-12,14H2,1-2H3,(H,28,31)(H,25,27,30)/b10-5+
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n/an/a 1.55E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387317
PNG
(CHEMBL2046622)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)c2ccc(s2)-c2ccccc2)nc1
Show InChI InChI=1S/C25H23N5O3S2/c1-15(30-12-11-18-21(14-30)35-25(27-18)24(32)29-33)17-7-10-22(26-13-17)28-23(31)20-9-8-19(34-20)16-5-3-2-4-6-16/h2-10,13,15,33H,11-12,14H2,1H3,(H,29,32)(H,26,28,31)
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n/an/a 1.94E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387318
PNG
(CHEMBL2046623)
Show SMILES CC(C)N(C(=O)\C=C\c1ccccc1)c1cccc(CN2CCc3nc(sc3C2)C(=O)NO)c1
Show InChI InChI=1S/C26H28N4O3S/c1-18(2)30(24(31)12-11-19-7-4-3-5-8-19)21-10-6-9-20(15-21)16-29-14-13-22-23(17-29)34-26(27-22)25(32)28-33/h3-12,15,18,33H,13-14,16-17H2,1-2H3,(H,28,32)/b12-11+
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n/an/a 2.19E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387321
PNG
(CHEMBL2046610)
Show SMILES ONC(=O)c1nc2CCN(Cc2s1)C(=O)c1ccc(NC(=O)c2ccc(s2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O4S2/c30-22(20-11-10-19(34-20)15-4-2-1-3-5-15)26-17-8-6-16(7-9-17)25(32)29-13-12-18-21(14-29)35-24(27-18)23(31)28-33/h1-11,33H,12-14H2,(H,26,30)(H,28,31)
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n/an/a 2.59E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387321
PNG
(CHEMBL2046610)
Show SMILES ONC(=O)c1nc2CCN(Cc2s1)C(=O)c1ccc(NC(=O)c2ccc(s2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O4S2/c30-22(20-11-10-19(34-20)15-4-2-1-3-5-15)26-17-8-6-16(7-9-17)25(32)29-13-12-18-21(14-29)35-24(27-18)23(31)28-33/h1-11,33H,12-14H2,(H,26,30)(H,28,31)
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n/an/a 2.66E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387313
PNG
(CHEMBL2046618)
Show SMILES ONC(=O)c1nc2CCN(CCCCNC(=O)c3ccc(s3)-c3ccccc3)Cc2s1
Show InChI InChI=1S/C22H24N4O3S2/c27-20(18-9-8-17(30-18)15-6-2-1-3-7-15)23-11-4-5-12-26-13-10-16-19(14-26)31-22(24-16)21(28)25-29/h1-3,6-9,29H,4-5,10-14H2,(H,23,27)(H,25,28)
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n/an/a 2.69E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387317
PNG
(CHEMBL2046622)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)c2ccc(s2)-c2ccccc2)nc1
Show InChI InChI=1S/C25H23N5O3S2/c1-15(30-12-11-18-21(14-30)35-25(27-18)24(32)29-33)17-7-10-22(26-13-17)28-23(31)20-9-8-19(34-20)16-5-3-2-4-6-16/h2-10,13,15,33H,11-12,14H2,1H3,(H,29,32)(H,26,28,31)
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n/an/a 2.96E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387324
PNG
(CHEMBL2046614)
Show SMILES ONC(=O)c1nc2CCN(CCCNC(=O)c3ccc(s3)-c3ccccc3)Cc2s1
Show InChI InChI=1S/C21H22N4O3S2/c26-19(17-8-7-16(29-17)14-5-2-1-3-6-14)22-10-4-11-25-12-9-15-18(13-25)30-21(23-15)20(27)24-28/h1-3,5-8,28H,4,9-13H2,(H,22,26)(H,24,27)
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n/an/a 3.39E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387315
PNG
(CHEMBL2046620)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)\C=C\c2ccccc2)nc1
Show InChI InChI=1S/C23H23N5O3S/c1-15(28-12-11-18-19(14-28)32-23(25-18)22(30)27-31)17-8-9-20(24-13-17)26-21(29)10-7-16-5-3-2-4-6-16/h2-10,13,15,31H,11-12,14H2,1H3,(H,27,30)(H,24,26,29)/b10-7+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387313
PNG
(CHEMBL2046618)
Show SMILES ONC(=O)c1nc2CCN(CCCCNC(=O)c3ccc(s3)-c3ccccc3)Cc2s1
Show InChI InChI=1S/C22H24N4O3S2/c27-20(18-9-8-17(30-18)15-6-2-1-3-7-15)23-11-4-5-12-26-13-10-16-19(14-26)31-22(24-16)21(28)25-29/h1-3,6-9,29H,4-5,10-14H2,(H,23,27)(H,25,28)
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n/an/a 4.89E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387324
PNG
(CHEMBL2046614)
Show SMILES ONC(=O)c1nc2CCN(CCCNC(=O)c3ccc(s3)-c3ccccc3)Cc2s1
Show InChI InChI=1S/C21H22N4O3S2/c26-19(17-8-7-16(29-17)14-5-2-1-3-6-14)22-10-4-11-25-12-9-15-18(13-25)30-21(23-15)20(27)24-28/h1-3,5-8,28H,4,9-13H2,(H,22,26)(H,24,27)
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n/an/a 5.09E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387324
PNG
(CHEMBL2046614)
Show SMILES ONC(=O)c1nc2CCN(CCCNC(=O)c3ccc(s3)-c3ccccc3)Cc2s1
Show InChI InChI=1S/C21H22N4O3S2/c26-19(17-8-7-16(29-17)14-5-2-1-3-6-14)22-10-4-11-25-12-9-15-18(13-25)30-21(23-15)20(27)24-28/h1-3,5-8,28H,4,9-13H2,(H,22,26)(H,24,27)
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n/an/a 5.67E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387316
PNG
(CHEMBL2046621)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cn2)C(C)N2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-15(29-12-11-19-20(14-29)34-24(26-19)23(31)28-32)17-6-9-21(25-13-17)27-22(30)10-5-16-3-7-18(33-2)8-4-16/h3-10,13,15,32H,11-12,14H2,1-2H3,(H,28,31)(H,25,27,30)/b10-5+
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n/an/a 5.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387313
PNG
(CHEMBL2046618)
Show SMILES ONC(=O)c1nc2CCN(CCCCNC(=O)c3ccc(s3)-c3ccccc3)Cc2s1
Show InChI InChI=1S/C22H24N4O3S2/c27-20(18-9-8-17(30-18)15-6-2-1-3-7-15)23-11-4-5-12-26-13-10-16-19(14-26)31-22(24-16)21(28)25-29/h1-3,6-9,29H,4-5,10-14H2,(H,23,27)(H,25,28)
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n/an/a 6.08E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387323
PNG
(CHEMBL2046613)
Show SMILES COc1ccc(\C=C\C(=O)NCCCN2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C20H24N4O4S/c1-28-15-6-3-14(4-7-15)5-8-18(25)21-10-2-11-24-12-9-16-17(13-24)29-20(22-16)19(26)23-27/h3-8,27H,2,9-13H2,1H3,(H,21,25)(H,23,26)/b8-5+
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n/an/a 6.62E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387315
PNG
(CHEMBL2046620)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)\C=C\c2ccccc2)nc1
Show InChI InChI=1S/C23H23N5O3S/c1-15(28-12-11-18-19(14-28)32-23(25-18)22(30)27-31)17-8-9-20(24-13-17)26-21(29)10-7-16-5-3-2-4-6-16/h2-10,13,15,31H,11-12,14H2,1H3,(H,27,30)(H,24,26,29)/b10-7+
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n/an/a 6.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387316
PNG
(CHEMBL2046621)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cn2)C(C)N2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C24H25N5O4S/c1-15(29-12-11-19-20(14-29)34-24(26-19)23(31)28-32)17-6-9-21(25-13-17)27-22(30)10-5-16-3-7-18(33-2)8-4-16/h3-10,13,15,32H,11-12,14H2,1-2H3,(H,28,31)(H,25,27,30)/b10-5+
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n/an/a 6.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387323
PNG
(CHEMBL2046613)
Show SMILES COc1ccc(\C=C\C(=O)NCCCN2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C20H24N4O4S/c1-28-15-6-3-14(4-7-15)5-8-18(25)21-10-2-11-24-12-9-16-17(13-24)29-20(22-16)19(26)23-27/h3-8,27H,2,9-13H2,1H3,(H,21,25)(H,23,26)/b8-5+
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n/an/a 8.77E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387319
PNG
(CHEMBL2046608)
Show SMILES ONC(=O)c1nc2CCN(Cc2s1)C(=O)c1ccc(NC(=O)CCC=C)cc1
Show InChI InChI=1S/C19H20N4O4S/c1-2-3-4-16(24)20-13-7-5-12(6-8-13)19(26)23-10-9-14-15(11-23)28-18(21-14)17(25)22-27/h2,5-8,27H,1,3-4,9-11H2,(H,20,24)(H,22,25)
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n/an/a 9.38E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387312
PNG
(CHEMBL2046617)
Show SMILES COc1ccc(\C=C\C(=O)NCCCCN2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C21H26N4O4S/c1-29-16-7-4-15(5-8-16)6-9-19(26)22-11-2-3-12-25-13-10-17-18(14-25)30-21(23-17)20(27)24-28/h4-9,28H,2-3,10-14H2,1H3,(H,22,26)(H,24,27)/b9-6+
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n/an/a 9.55E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387319
PNG
(CHEMBL2046608)
Show SMILES ONC(=O)c1nc2CCN(Cc2s1)C(=O)c1ccc(NC(=O)CCC=C)cc1
Show InChI InChI=1S/C19H20N4O4S/c1-2-3-4-16(24)20-13-7-5-12(6-8-13)19(26)23-10-9-14-15(11-23)28-18(21-14)17(25)22-27/h2,5-8,27H,1,3-4,9-11H2,(H,20,24)(H,22,25)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387323
PNG
(CHEMBL2046613)
Show SMILES COc1ccc(\C=C\C(=O)NCCCN2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C20H24N4O4S/c1-28-15-6-3-14(4-7-15)5-8-18(25)21-10-2-11-24-12-9-16-17(13-24)29-20(22-16)19(26)23-27/h3-8,27H,2,9-13H2,1H3,(H,21,25)(H,23,26)/b8-5+
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n/an/a 1.03E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387318
PNG
(CHEMBL2046623)
Show SMILES CC(C)N(C(=O)\C=C\c1ccccc1)c1cccc(CN2CCc3nc(sc3C2)C(=O)NO)c1
Show InChI InChI=1S/C26H28N4O3S/c1-18(2)30(24(31)12-11-19-7-4-3-5-8-19)21-10-6-9-20(15-21)16-29-14-13-22-23(17-29)34-26(27-22)25(32)28-33/h3-12,15,18,33H,13-14,16-17H2,1-2H3,(H,28,32)/b12-11+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387322
PNG
(CHEMBL2046612)
Show SMILES ONC(=O)c1nc2CCN(CCCNC(=O)\C=C\c3ccccc3)Cc2s1
Show InChI InChI=1S/C19H22N4O3S/c24-17(8-7-14-5-2-1-3-6-14)20-10-4-11-23-12-9-15-16(13-23)27-19(21-15)18(25)22-26/h1-3,5-8,26H,4,9-13H2,(H,20,24)(H,22,25)/b8-7+
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n/an/a 1.35E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387322
PNG
(CHEMBL2046612)
Show SMILES ONC(=O)c1nc2CCN(CCCNC(=O)\C=C\c3ccccc3)Cc2s1
Show InChI InChI=1S/C19H22N4O3S/c24-17(8-7-14-5-2-1-3-6-14)20-10-4-11-23-12-9-15-16(13-23)27-19(21-15)18(25)22-26/h1-3,5-8,26H,4,9-13H2,(H,20,24)(H,22,25)/b8-7+
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n/an/a 1.35E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387314
PNG
(CHEMBL2046619)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)CCC=C)nc1
Show InChI InChI=1S/C19H23N5O3S/c1-3-4-5-17(25)22-16-7-6-13(10-20-16)12(2)24-9-8-14-15(11-24)28-19(21-14)18(26)23-27/h3,6-7,10,12,27H,1,4-5,8-9,11H2,2H3,(H,23,26)(H,20,22,25)
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n/an/a 1.35E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387320
PNG
(CHEMBL2046609)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)N2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C24H22N4O5S/c1-33-18-9-2-15(3-10-18)4-11-21(29)25-17-7-5-16(6-8-17)24(31)28-13-12-19-20(14-28)34-23(26-19)22(30)27-32/h2-11,32H,12-14H2,1H3,(H,25,29)(H,27,30)/b11-4+
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n/an/a 1.61E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387314
PNG
(CHEMBL2046619)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)CCC=C)nc1
Show InChI InChI=1S/C19H23N5O3S/c1-3-4-5-17(25)22-16-7-6-13(10-20-16)12(2)24-9-8-14-15(11-24)28-19(21-14)18(26)23-27/h3,6-7,10,12,27H,1,4-5,8-9,11H2,2H3,(H,23,26)(H,20,22,25)
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n/an/a 1.92E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387320
PNG
(CHEMBL2046609)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)N2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C24H22N4O5S/c1-33-18-9-2-15(3-10-18)4-11-21(29)25-17-7-5-16(6-8-17)24(31)28-13-12-19-20(14-28)34-23(26-19)22(30)27-32/h2-11,32H,12-14H2,1H3,(H,25,29)(H,27,30)/b11-4+
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n/an/a 2.25E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387326
PNG
(CHEMBL2046616)
Show SMILES ONC(=O)c1nc2CCN(CCCCNC(=O)\C=C\c3ccccc3)Cc2s1
Show InChI InChI=1S/C20H24N4O3S/c25-18(9-8-15-6-2-1-3-7-15)21-11-4-5-12-24-13-10-16-17(14-24)28-20(22-16)19(26)23-27/h1-3,6-9,27H,4-5,10-14H2,(H,21,25)(H,23,26)/b9-8+
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n/an/a 2.32E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387325
PNG
(CHEMBL2046615)
Show SMILES ONC(=O)c1nc2CCN(CCCCNC(=O)CCC=C)Cc2s1
Show InChI InChI=1S/C16H24N4O3S/c1-2-3-6-14(21)17-8-4-5-9-20-10-7-12-13(11-20)24-16(18-12)15(22)19-23/h2,23H,1,3-11H2,(H,17,21)(H,19,22)
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n/an/a 2.48E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387326
PNG
(CHEMBL2046616)
Show SMILES ONC(=O)c1nc2CCN(CCCCNC(=O)\C=C\c3ccccc3)Cc2s1
Show InChI InChI=1S/C20H24N4O3S/c25-18(9-8-15-6-2-1-3-7-15)21-11-4-5-12-24-13-10-16-17(14-24)28-20(22-16)19(26)23-27/h1-3,6-9,27H,4-5,10-14H2,(H,21,25)(H,23,26)/b9-8+
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n/an/a 2.64E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50387312
PNG
(CHEMBL2046617)
Show SMILES COc1ccc(\C=C\C(=O)NCCCCN2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C21H26N4O4S/c1-29-16-7-4-15(5-8-16)6-9-19(26)22-11-2-3-12-25-13-10-17-18(14-25)30-21(23-17)20(27)24-28/h4-9,28H,2-3,10-14H2,1H3,(H,22,26)(H,24,27)/b9-6+
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n/an/a 3.41E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC3 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387312
PNG
(CHEMBL2046617)
Show SMILES COc1ccc(\C=C\C(=O)NCCCCN2CCc3nc(sc3C2)C(=O)NO)cc1
Show InChI InChI=1S/C21H26N4O4S/c1-29-16-7-4-15(5-8-16)6-9-19(26)22-11-2-3-12-25-13-10-17-18(14-25)30-21(23-17)20(27)24-28/h4-9,28H,2-3,10-14H2,1H3,(H,22,26)(H,24,27)/b9-6+
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n/an/a 3.51E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387322
PNG
(CHEMBL2046612)
Show SMILES ONC(=O)c1nc2CCN(CCCNC(=O)\C=C\c3ccccc3)Cc2s1
Show InChI InChI=1S/C19H22N4O3S/c24-17(8-7-14-5-2-1-3-6-14)20-10-4-11-23-12-9-15-16(13-23)27-19(21-15)18(25)22-26/h1-3,5-8,26H,4,9-13H2,(H,20,24)(H,22,25)/b8-7+
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n/an/a 3.94E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387326
PNG
(CHEMBL2046616)
Show SMILES ONC(=O)c1nc2CCN(CCCCNC(=O)\C=C\c3ccccc3)Cc2s1
Show InChI InChI=1S/C20H24N4O3S/c25-18(9-8-15-6-2-1-3-7-15)21-11-4-5-12-24-13-10-16-17(14-24)28-20(22-16)19(26)23-27/h1-3,6-9,27H,4-5,10-14H2,(H,21,25)(H,23,26)/b9-8+
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n/an/a 4.01E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50387311
PNG
(CHEMBL2046611)
Show SMILES ONC(=O)c1nc2CCN(CCCNC(=O)CCC=C)Cc2s1
Show InChI InChI=1S/C15H22N4O3S/c1-2-3-5-13(20)16-7-4-8-19-9-6-11-12(10-19)23-15(17-11)14(21)18-22/h2,22H,1,3-10H2,(H,16,20)(H,18,21)
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n/an/a 5.87E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC6 expressed in insect High5 cells using Boc-Lys(eacetyl)- AMC as substrate after 3 hrs ...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50387314
PNG
(CHEMBL2046619)
Show SMILES CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)CCC=C)nc1
Show InChI InChI=1S/C19H23N5O3S/c1-3-4-5-17(25)22-16-7-6-13(10-20-16)12(2)24-9-8-14-15(11-24)28-19(21-14)18(26)23-27/h3,6-7,10,12,27H,1,4-5,8-9,11H2,2H3,(H,23,26)(H,20,22,25)
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n/an/a 6.57E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged and GST-fuses HDAC1 expressed in insect High5 cells using Ac-Lys-Tyr-Lys(e-acetyl)-AMC as substrate after...

Bioorg Med Chem Lett 22: 4540-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.123
BindingDB Entry DOI: 10.7270/Q2ZC83XG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%