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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'stünkel' and Initial = 'w'   
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 4


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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9.60n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC4 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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13n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC3 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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13n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC11 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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17n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC5 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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19n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC9 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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19n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC10 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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21n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC6 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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36n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC2 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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82n/an/an/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC8 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248522
PNG
(CHEMBL489332 | N-hydroxy-3-(2-phenethyl-1-(2-(pipe...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-3-1-4-8-20)29(23)18-17-28-15-5-2-6-16-28/h1,3-4,7-9,11-12,14,19,31H,2,5-6,10,13,15-18H2,(H,27,30)/b14-11+
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n/an/a 26n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248476
PNG
(CHEMBL491316 | N-hydroxy-3-(2-phenethyl-1-(2-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O2/c29-24(26-30)13-10-20-8-11-22-21(18-20)25-23(12-9-19-6-2-1-3-7-19)28(22)17-16-27-14-4-5-15-27/h1-3,6-8,10-11,13,18,30H,4-5,9,12,14-17H2,(H,26,29)/b13-10+
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n/an/a 35n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248570
PNG
(3-(1-(3-(dimethylamino)-2,2-dimethylpropyl)-2-phen...)
Show SMILES CN(C)CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C25H32N4O2/c1-25(2,17-28(3)4)18-29-22-13-10-20(12-15-24(30)27-31)16-21(22)26-23(29)14-11-19-8-6-5-7-9-19/h5-10,12-13,15-16,31H,11,14,17-18H2,1-4H3,(H,27,30)/b15-12+
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n/an/a 41n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248375
PNG
(CHEMBL491688 | N-hydroxy-3-(2-phenethyl-1-(3,4,5-t...)
Show SMILES COc1cc(Cn2c(CCc3ccccc3)nc3cc(\C=C\C(=O)NO)ccc23)cc(OC)c1OC
Show InChI InChI=1S/C28H29N3O5/c1-34-24-16-21(17-25(35-2)28(24)36-3)18-31-23-12-9-20(11-14-27(32)30-33)15-22(23)29-26(31)13-10-19-7-5-4-6-8-19/h4-9,11-12,14-17,33H,10,13,18H2,1-3H3,(H,30,32)/b14-11+
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n/an/a 47n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248475
PNG
(3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[...)
Show SMILES CCN(CC)CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C24H30N4O2/c1-3-27(4-2)16-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-6-5-7-9-19/h5-10,12-13,15,18,30H,3-4,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+
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n/an/a 52n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248314
PNG
(CHEMBL474746 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...)
Show SMILES CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO)c1ccccc1
Show InChI InChI=1S/C22H25N3O3/c1-16(18-6-3-2-4-7-18)14-21-23-19-15-17(9-11-22(27)24-28)8-10-20(19)25(21)12-5-13-26/h2-4,6-11,15-16,26,28H,5,12-14H2,1H3,(H,24,27)/b11-9+
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n/an/a 80n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248261
PNG
(CHEMBL475145 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...)
Show SMILES CC(C)Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO
Show InChI InChI=1S/C17H23N3O3/c1-12(2)10-16-18-14-11-13(5-7-17(22)19-23)4-6-15(14)20(16)8-3-9-21/h4-7,11-12,21,23H,3,8-10H2,1-2H3,(H,19,22)/b7-5+
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n/an/a 100n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
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 120n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248256
PNG
(3-(1-(4-(dimethylamino)butyl)-2-phenethyl-1H-benzo...)
Show SMILES CN(C)CCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C24H30N4O2/c1-27(2)16-6-7-17-28-22-13-10-20(12-15-24(29)26-30)18-21(22)25-23(28)14-11-19-8-4-3-5-9-19/h3-5,8-10,12-13,15,18,30H,6-7,11,14,16-17H2,1-2H3,(H,26,29)/b15-12+
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n/an/a 160n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248524
PNG
(3-(1-(3-(1H-imidazol-1-yl)propyl)-2-phenethyl-1H-b...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCn3ccnc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H25N5O2/c30-24(27-31)12-9-20-7-10-22-21(17-20)26-23(11-8-19-5-2-1-3-6-19)29(22)15-4-14-28-16-13-25-18-28/h1-3,5-7,9-10,12-13,16-18,31H,4,8,11,14-15H2,(H,27,30)/b12-9+
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n/an/a 160n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248316
PNG
(CHEMBL515906 | N-hydroxy-3-(2-phenethyl-1H-benzo[d...)
Show SMILES ONC(=O)C=Cc1ccc2nc(CCc3ccccc3)[nH]c2c1 |w:5.5|
Show InChI InChI=1S/C18H17N3O2/c22-18(21-23)11-8-14-6-9-15-16(12-14)20-17(19-15)10-7-13-4-2-1-3-5-13/h1-6,8-9,11-12,23H,7,10H2,(H,19,20)(H,21,22)
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n/an/a 170n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248315
PNG
(3-(2-(benzyloxymethyl)-1-(3-hydroxypropyl)-1H-benz...)
Show SMILES OCCCn1c(COCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O4/c25-12-4-11-24-19-9-7-16(8-10-21(26)23-27)13-18(19)22-20(24)15-28-14-17-5-2-1-3-6-17/h1-3,5-10,13,25,27H,4,11-12,14-15H2,(H,23,26)/b10-8+
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n/an/a 170n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM103534
PNG
(CHEMBL474152 | US10201527, Compound 40 | US8551988...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O3/c25-14-4-13-24-19-10-7-17(9-12-21(26)23-27)15-18(19)22-20(24)11-8-16-5-2-1-3-6-16/h1-3,5-7,9-10,12,15,25,27H,4,8,11,13-14H2,(H,23,26)/b12-9+
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n/an/a 170n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248431
PNG
(CHEMBL489125 | N-hydroxy-3-(2-phenethyl-1-propyl-1...)
Show SMILES CCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C21H23N3O2/c1-2-14-24-19-11-8-17(10-13-21(25)23-26)15-18(19)22-20(24)12-9-16-6-4-3-5-7-16/h3-8,10-11,13,15,26H,2,9,12,14H2,1H3,(H,23,25)/b13-10+
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n/an/a 170n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248573
PNG
(CHEMBL464719 | N-hydroxy-3-(2-phenethyl-1-(3,4,5-t...)
Show SMILES COc1cc(Cn2c(CCc3ccccc3)nc3cc(CCC(=O)NO)ccc23)cc(OC)c1OC
Show InChI InChI=1S/C28H31N3O5/c1-34-24-16-21(17-25(35-2)28(24)36-3)18-31-23-12-9-20(11-14-27(32)30-33)15-22(23)29-26(31)13-10-19-7-5-4-6-8-19/h4-9,12,15-17,33H,10-11,13-14,18H2,1-3H3,(H,30,32)
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n/an/a 170n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248525
PNG
(3-(1-(3-(dimethylamino)propyl)-2-phenethyl-1H-benz...)
Show SMILES CN(C)CCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C23H28N4O2/c1-26(2)15-6-16-27-21-12-9-19(11-14-23(28)25-29)17-20(21)24-22(27)13-10-18-7-4-3-5-8-18/h3-5,7-9,11-12,14,17,29H,6,10,13,15-16H2,1-2H3,(H,25,28)/b14-11+
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n/an/a 190n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248473
PNG
(CHEMBL523646 | N-hydroxy-3-(1-(3-(2-oxopyrrolidin-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3=O)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H28N4O3/c30-24(27-32)14-11-20-9-12-22-21(18-20)26-23(13-10-19-6-2-1-3-7-19)29(22)17-5-16-28-15-4-8-25(28)31/h1-3,6-7,9,11-12,14,18,32H,4-5,8,10,13,15-17H2,(H,27,30)/b14-11+
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n/an/a 200n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248432
PNG
(CHEMBL521909 | N-hydroxy-3-(1-(3-methoxypropyl)-2-...)
Show SMILES COCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C22H25N3O3/c1-28-15-5-14-25-20-11-8-18(10-13-22(26)24-27)16-19(20)23-21(25)12-9-17-6-3-2-4-7-17/h2-4,6-8,10-11,13,16,27H,5,9,12,14-15H2,1H3,(H,24,26)/b13-10+
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n/an/a 210n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248376
PNG
(3-(1-ethyl-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N...)
Show SMILES CCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-2-23-18-11-8-16(10-13-20(24)22-25)14-17(18)21-19(23)12-9-15-6-4-3-5-7-15/h3-8,10-11,13-14,25H,2,9,12H2,1H3,(H,22,24)/b13-10+
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n/an/a 220n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248474
PNG
(CHEMBL491490 | N-hydroxy-3-(1-(3-morpholinopropyl)...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O3/c30-25(27-31)12-9-21-7-10-23-22(19-21)26-24(11-8-20-5-2-1-3-6-20)29(23)14-4-13-28-15-17-32-18-16-28/h1-3,5-7,9-10,12,19,31H,4,8,11,13-18H2,(H,27,30)/b12-9+
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n/an/a 250n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50247927
PNG
(CHEMBL489706 | N-hydroxy-3-(2-phenethyl-1-(pyridin...)
Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccn3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H22N4O2/c29-24(27-30)14-11-19-9-12-22-21(16-19)26-23(13-10-18-6-2-1-3-7-18)28(22)17-20-8-4-5-15-25-20/h1-9,11-12,14-16,30H,10,13,17H2,(H,27,29)/b14-11+
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n/an/a 250n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM38236
PNG
(CHEMBL522269 | US10201527, Compound 48 | US8551988...)
Show SMILES Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C19H19N3O2/c1-22-17-10-7-15(9-12-19(23)21-24)13-16(17)20-18(22)11-8-14-5-3-2-4-6-14/h2-7,9-10,12-13,24H,8,11H2,1H3,(H,21,23)/b12-9+
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n/an/a 260n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248429
PNG
(CHEMBL489709 | N-hydroxy-3-(1-(2-morpholinoethyl)-...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCN3CCOCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C24H28N4O3/c29-24(26-30)11-8-20-6-9-22-21(18-20)25-23(10-7-19-4-2-1-3-5-19)28(22)13-12-27-14-16-31-17-15-27/h1-6,8-9,11,18,30H,7,10,12-17H2,(H,26,29)/b11-8+
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n/an/a 270n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248523
PNG
(CHEMBL489330 | N-hydroxy-3-(2-phenethyl-1-(3-(pyrr...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCCN3CCCC3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H30N4O2/c30-25(27-31)14-11-21-9-12-23-22(19-21)26-24(13-10-20-7-2-1-3-8-20)29(23)18-6-17-28-15-4-5-16-28/h1-3,7-9,11-12,14,19,31H,4-6,10,13,15-18H2,(H,27,30)/b14-11+
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n/an/a 310n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM38237
PNG
(CHEMBL491687 | US10201527, Compound 33 | US8551988...)
Show SMILES ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C25H23N3O2/c29-25(27-30)16-13-20-11-14-23-22(17-20)26-24(15-12-19-7-3-1-4-8-19)28(23)18-21-9-5-2-6-10-21/h1-11,13-14,16-17,30H,12,15,18H2,(H,27,29)/b16-13+
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S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248312
PNG
(CHEMBL474151 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...)
Show SMILES CCCCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO
Show InChI InChI=1S/C21H31N3O3/c1-2-3-4-5-6-7-9-20-22-18-16-17(11-13-21(26)23-27)10-12-19(18)24(20)14-8-15-25/h10-13,16,25,27H,2-9,14-15H2,1H3,(H,23,26)/b13-11+
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n/an/a 530n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248430
PNG
(3-(1,2-diphenethyl-1H-benzo[d]imidazol-5-yl)-N-hyd...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCc3ccccc3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C26H25N3O2/c30-26(28-31)16-13-22-11-14-24-23(19-22)27-25(15-12-20-7-3-1-4-8-20)29(24)18-17-21-9-5-2-6-10-21/h1-11,13-14,16,19,31H,12,15,17-18H2,(H,28,30)/b16-13+
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n/an/a 880n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248257
PNG
((E)-N-hydroxy-3-(1-(3-hydroxypropyl)-1H-benzo[d]im...)
Show SMILES OCCCn1cnc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C13H15N3O3/c17-7-1-6-16-9-14-11-8-10(2-4-12(11)16)3-5-13(18)15-19/h2-5,8-9,17,19H,1,6-7H2,(H,15,18)/b5-3+
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n/an/a 1.10E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50247926
PNG
(3-(1-benzyl-2-phenethyl-1H-benzo[d]imidazol-6-yl)-...)
Show SMILES ONC(=O)\C=C\c1ccc2nc(CCc3ccccc3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H23N3O2/c29-25(27-30)16-13-20-11-14-22-23(17-20)28(18-21-9-5-2-6-10-21)24(26-22)15-12-19-7-3-1-4-8-19/h1-11,13-14,16-17,30H,12,15,18H2,(H,27,29)/b16-13+
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n/an/a 1.20E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248574
PNG
(CHEMBL464927 | N-hydroxy-2-(1-methyl-2-phenethyl-1...)
Show SMILES Cn1c(CCc2ccccc2)nc2cc(ccc12)C1CC1C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-23-18-9-8-14(15-12-16(15)20(24)22-25)11-17(18)21-19(23)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,15-16,25H,7,10,12H2,1H3,(H,22,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248260
PNG
(CHEMBL474547 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...)
Show SMILES CC(C)c1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO
Show InChI InChI=1S/C16H21N3O3/c1-11(2)16-17-13-10-12(5-7-15(21)18-22)4-6-14(13)19(16)8-3-9-20/h4-7,10-11,20,22H,3,8-9H2,1-2H3,(H,18,21)/b7-5+
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n/an/a 1.70E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248259
PNG
(CHEMBL474546 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...)
Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)-c1ccsc1
Show InChI InChI=1S/C17H17N3O3S/c21-8-1-7-20-15-4-2-12(3-5-16(22)19-23)10-14(15)18-17(20)13-6-9-24-11-13/h2-6,9-11,21,23H,1,7-8H2,(H,19,22)/b5-3+
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n/an/a 1.90E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248377
PNG
(3-(5-(3-(hydroxyamino)-3-oxoprop-1-enyl)-2-pheneth...)
Show SMILES ONC(=O)\C=C\c1ccc2n(CCC(O)=O)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C21H21N3O4/c25-20(23-28)11-8-16-6-9-18-17(14-16)22-19(24(18)13-12-21(26)27)10-7-15-4-2-1-3-5-15/h1-6,8-9,11,14,28H,7,10,12-13H2,(H,23,25)(H,26,27)/b11-8+
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n/an/a 2.30E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248258
PNG
(3-(2-cyclohexyl-1-(3-hydroxypropyl)-1H-benzo[d]imi...)
Show SMILES OCCCn1c(nc2cc(\C=C\C(=O)NO)ccc12)C1CCCCC1
Show InChI InChI=1S/C19H25N3O3/c23-12-4-11-22-17-9-7-14(8-10-18(24)21-25)13-16(17)20-19(22)15-5-2-1-3-6-15/h7-10,13,15,23,25H,1-6,11-12H2,(H,21,24)/b10-8+
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n/an/a 3.20E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248572
PNG
(CHEMBL464718 | N-hydroxy-1-(3-hydroxypropyl)-2-phe...)
Show SMILES OCCCn1c(CCc2ccccc2)nc2cc(ccc12)C(=O)NO
Show InChI InChI=1S/C19H21N3O3/c23-12-4-11-22-17-9-8-15(19(24)21-25)13-16(17)20-18(22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,23,25H,4,7,10-12H2,(H,21,24)
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n/an/a 3.30E+3n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50248571
PNG
(CHEMBL461173 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...)
Show SMILES CC(C)Cc1nc2cc(CCC(=O)NO)ccc2n1CCCO
Show InChI InChI=1S/C17H25N3O3/c1-12(2)10-16-18-14-11-13(5-7-17(22)19-23)4-6-15(14)20(16)8-3-9-21/h4,6,11-12,21,23H,3,5,7-10H2,1-2H3,(H,19,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50247928
PNG
(CHEMBL489902 | N-(2-aminophenyl)-3-(2-phenethyl-1-...)
Show SMILES Nc1ccccc1NC(=O)\C=C\c1ccc2n(Cc3ccccn3)c(CCc3ccccc3)nc2c1
Show InChI InChI=1S/C30H27N5O/c31-25-11-4-5-12-26(25)34-30(36)18-15-23-13-16-28-27(20-23)33-29(17-14-22-8-2-1-3-9-22)35(28)21-24-10-6-7-19-32-24/h1-13,15-16,18-20H,14,17,21,31H2,(H,34,36)/b18-15+
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n/an/a>1.00E+5n/an/an/an/an/an/a



S *BIO Pte Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1 by fluorimetric assay


Bioorg Med Chem Lett 19: 1403-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.041
BindingDB Entry DOI: 10.7270/Q2FT8KX3
More data for this
Ligand-Target Pair