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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50009567   
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 1


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 0.190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 0.190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 0.210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 0.210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substra...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 0.580n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substra...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mi...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mi...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substra...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substra...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC3 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC3 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mi...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mi...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC6 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC6 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC6 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC6 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50530005
PNG
(CHEMBL4437811)
Show SMILES CCN1CCN(CC1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C29H41N9O4/c1-2-35-13-15-37(16-14-35)29(40)31-23-10-8-22(9-11-23)26-32-27(36-17-19-42-20-18-36)24-21-30-38(28(24)33-26)12-6-4-3-5-7-25(39)34-41/h8-11,21,41H,2-7,12-20H2,1H3,(H,31,40)(H,34,39)
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50530005
PNG
(CHEMBL4437811)
Show SMILES CCN1CCN(CC1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C29H41N9O4/c1-2-35-13-15-37(16-14-35)29(40)31-23-10-8-22(9-11-23)26-32-27(36-17-19-42-20-18-36)24-21-30-38(28(24)33-26)12-6-4-3-5-7-25(39)34-41/h8-11,21,41H,2-7,12-20H2,1H3,(H,31,40)(H,34,39)
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50530004
PNG
(CHEMBL4582850)
Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C28H39N9O4/c1-34-12-14-36(15-13-34)28(39)30-22-9-7-21(8-10-22)25-31-26(35-16-18-41-19-17-35)23-20-29-37(27(23)32-25)11-5-3-2-4-6-24(38)33-40/h7-10,20,40H,2-6,11-19H2,1H3,(H,30,39)(H,33,38)
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n/an/a 3.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50530004
PNG
(CHEMBL4582850)
Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C28H39N9O4/c1-34-12-14-36(15-13-34)28(39)30-22-9-7-21(8-10-22)25-31-26(35-16-18-41-19-17-35)23-20-29-37(27(23)32-25)11-5-3-2-4-6-24(38)33-40/h7-10,20,40H,2-6,11-19H2,1H3,(H,30,39)(H,33,38)
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n/an/a 3.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 4.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC3 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 4.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC3 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
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 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC1 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC6 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
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 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC6 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
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 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC3 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
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 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HDAC3 (unknown origin) using Ac-peptide-AMC as substrate preincubated for 15 mins followed by substrate additio...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mi...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 2


(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 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human HDAC2 expressed in baculovirus expression system using Ac-peptide-AMC as substrate preincubated for 15 mi...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))		BDBM50530003
PNG
(CHEMBL4552057)
Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1
Show InChI InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal FLAG-tagged human mTOR (1362 to end residues) using ULight-4E-BP1 (Thr37/46) peptide as substrate after 1 hr by ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(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 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substra...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(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 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal FLAG-tagged human HDAC10 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substra...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
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 172n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 172n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC8 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 9


(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>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC9 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST-tagged human HDAC11 expressed in baculovirus expression system using Ac-peptide-AMC as substrate...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 7


(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>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST-tagged human HDAC7 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histone deacetylase 4


(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>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human HDAC4 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 m...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length C-terminal His-tagged human HDAC9 expressed in baculovirus expression system using Ac-peptide-AMC as substrate ...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM50530002
PNG
(CHEMBL4532398)
Show SMILES C[C@@H]1CN(CCO1)C(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(CCCCCCC(=O)NO)c2n1 |r|
Show InChI InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human HDAC4 expressed in baculovirus infected sf9 cells using Ac-peptide-AMC as substrate preincubated for 15 m...

J Med Chem 62: 1577-1592 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01825
BindingDB Entry DOI: 10.7270/Q20868S8
More data for this
Ligand-Target Pair
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