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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50012846   
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))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM249366
PNG
(US9464073, 003 | US9884850, Compound 3)
Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1
Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50513916
PNG
(CHEMBL4469488)
Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1
Show InChI InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560907
PNG
(CHEMBL4783802)
Show SMILES OCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 117n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 148n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 151n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 176n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 268n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50560906
PNG
(CHEMBL4761969)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NCc1ccccc1 |r|
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n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 276n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 281n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50506234
PNG
(CHEMBL4459294)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H32N4O6/c1-16(2)13-21(28-25(33)35-15-19-7-5-4-6-8-19)24(32)27-17(3)22(30)26-14-18-9-11-20(12-10-18)23(31)29-34/h4-12,16-17,21,34H,13-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,33)(H,29,31)/t17-,21-/m0/s1
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n/an/a 314n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 352n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC3 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 443n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC3 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 478n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC8 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 498n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC8 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 581n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC3 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 614n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC8 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM249366
PNG
(US9464073, 003 | US9884850, Compound 3)
Show SMILES ONC(=O)c1cnc(NC2(CCC(F)(F)CC2)c2ccccc2)nc1
Show InChI InChI=1S/C17H18F2N4O2/c18-17(19)8-6-16(7-9-17,13-4-2-1-3-5-13)22-15-20-10-12(11-21-15)14(24)23-25/h1-5,10-11,25H,6-9H2,(H,23,24)(H,20,21,22)
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n/an/a 780n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 988n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC8 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560907
PNG
(CHEMBL4783802)
Show SMILES OCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Cc1ccccc1
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n/an/a 1.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50513916
PNG
(CHEMBL4469488)
Show SMILES ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1
Show InChI InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)
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n/an/a 1.39E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 1.42E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC3 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 1.47E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC7 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 1.93E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC7 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC9 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 2.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC7 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 3.42E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC5 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 6.27E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC9 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 6.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC5 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50560906
PNG
(CHEMBL4761969)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NCc1ccccc1 |r|
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n/an/a 6.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 8.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HDAC1 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a 8.25E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC4 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC7 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 9.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC5 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 1.01E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC5 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 1.06E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC11 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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n/an/a 1.40E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC4 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50398716
PNG
(CHEMBL2179618 | US10227295, Compound 5g | US940985...)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
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n/an/a 1.48E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC4 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
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n/an/a 1.73E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC9 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
PDB
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n/an/a 2.31E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC4 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50279258
PNG
(CHEMBL4177129)
Show SMILES OCCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H23N3O4/c23-13-5-4-12-22(19(25)20-17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)18(24)21-26/h1-3,6-11,23,26H,4-5,12-14H2,(H,20,25)(H,21,24)
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Similars

Article
PubMed
n/an/a 2.97E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC9 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 min...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50560908
PNG
(CHEMBL4777296)
Show SMILES NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1
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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC11 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50560909
PNG
(CHEMBL4759584)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccc(CN)cc1
NCI pathway
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KEGG

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC11 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00567
BindingDB Entry DOI: 10.7270/Q2JH3QW7
More data for this
Ligand-Target Pair
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