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Compile Data Set for Download or QSAR

Found 443 hits with Last Name = 'brown' and Initial = 'jw'   
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))
BDBM50317947
PNG
((R)-N-hydroxy-3-(3-(5-methyl-1-(1-methylpiperidin-...)
Show SMILES CN1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1
Show InChI InChI=1S/C25H28N4O2/c1-18-24(20-9-4-3-5-10-20)26-25(29(18)22-12-7-15-28(2)17-22)21-11-6-8-19(16-21)13-14-23(30)27-31/h3-6,8-11,13-14,16,22,31H,7,12,15,17H2,1-2H3,(H,27,30)/b14-13+/t22-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317960
PNG
(3-(3-(5-benzyl-4-methyl-1-phenethyl-1H-imidazol-2-...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1Cc1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)31(18-17-22-9-4-2-5-10-22)28(29-21)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317949
PNG
((R)-N-hydroxy-3-(3-(1-(1-isopropylpiperidin-3-yl)-...)
Show SMILES CC(C)N1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1
Show InChI InChI=1S/C27H32N4O2/c1-19(2)30-16-8-13-24(18-30)31-20(3)26(22-10-5-4-6-11-22)28-27(31)23-12-7-9-21(17-23)14-15-25(32)29-33/h4-7,9-12,14-15,17,19,24,33H,8,13,16,18H2,1-3H3,(H,29,32)/b15-14+/t24-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317946
PNG
(CHEMBL1095451 | N-hydroxy-3-(3-(5-methyl-1-pheneth...)
Show SMILES Cc1c(nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)28-27(30(20)18-17-21-9-4-2-5-10-21)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317954
PNG
((R)-N-hydroxy-3-(3-(1-(1-isopropylpiperidin-3-yl)-...)
Show SMILES CC(C)N1CCC[C@H](C1)n1c(nc(C)c1-c1ccccc1)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C27H32N4O2/c1-19(2)30-16-8-13-24(18-30)31-26(22-10-5-4-6-11-22)20(3)28-27(31)23-12-7-9-21(17-23)14-15-25(32)29-33/h4-7,9-12,14-15,17,19,24,33H,8,13,16,18H2,1-3H3,(H,29,32)/b15-14+/t24-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317948
PNG
(6-(1-((R)-1-ethylpiperidin-3-yl)-5-methyl-4-phenyl...)
Show SMILES CCN1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1
Show InChI InChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-19(2)25(21-10-5-4-6-11-21)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31)/b15-14+/t23-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317957
PNG
((R)-3-(3-(4-benzyl-5-methyl-1-(1-methylpiperidin-3...)
Show SMILES CN1CCC[C@H](C1)n1c(C)c(Cc2ccccc2)nc1-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C26H30N4O2/c1-19-24(17-20-8-4-3-5-9-20)27-26(30(19)23-12-7-15-29(2)18-23)22-11-6-10-21(16-22)13-14-25(31)28-32/h3-6,8-11,13-14,16,23,32H,7,12,15,17-18H2,1-2H3,(H,28,31)/b14-13+/t23-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317962
PNG
(3-(3-(4,5-dimethyl-1-phenethyl-1H-imidazol-2-yl)ph...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1C
Show InChI InChI=1S/C22H23N3O2/c1-16-17(2)25(14-13-18-7-4-3-5-8-18)22(23-16)20-10-6-9-19(15-20)11-12-21(26)24-27/h3-12,15,27H,13-14H2,1-2H3,(H,24,26)/b12-11+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317956
PNG
(3-(3-(4-benzyl-5-methyl-1-phenethyl-1H-imidazol-2-...)
Show SMILES Cc1c(Cc2ccccc2)nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)29-28(31(21)18-17-22-9-4-2-5-10-22)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317951
PNG
(CHEMBL1096433 | N-hydroxy-3-(3-(4-methyl-1-pheneth...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)30(18-17-21-9-4-2-5-10-21)27(28-20)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317965
PNG
(CHEMBL1099096 | N-hydroxy-3-(3-(1-phenethyl-1H-ben...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCc1ccccc1
Show InChI InChI=1S/C24H21N3O2/c28-23(26-29)14-13-19-9-6-10-20(17-19)24-25-21-11-4-5-12-22(21)27(24)16-15-18-7-2-1-3-8-18/h1-14,17,29H,15-16H2,(H,26,28)/b14-13+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317953
PNG
((R)-3-(3-(1-(1-ethylpiperidin-3-yl)-4-methyl-5-phe...)
Show SMILES CCN1CCC[C@H](C1)n1c(nc(C)c1-c1ccccc1)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-25(21-10-5-4-6-11-21)19(2)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31)/b15-14+/t23-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317973
PNG
((R)-N-hydroxy-3-(3-(1-(1-methylpiperidin-3-yl)-1H-...)
Show SMILES CN1CCC[C@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C22H24N4O2/c1-25-13-5-8-18(15-25)26-20-10-3-2-9-19(20)23-22(26)17-7-4-6-16(14-17)11-12-21(27)24-28/h2-4,6-7,9-12,14,18,28H,5,8,13,15H2,1H3,(H,24,27)/b12-11+/t18-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317943
PNG
((R)-3-(3-(1-(1-ethylpiperidin-3-yl)-1H-benzo[d]imi...)
Show SMILES CCN1CCC[C@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+/t19-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317958
PNG
((R)-3-(3-(4-benzyl-1-(1-ethylpiperidin-3-yl)-5-met...)
Show SMILES CCN1CCC[C@H](C1)n1c(C)c(Cc2ccccc2)nc1-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C27H32N4O2/c1-3-30-16-8-13-24(19-30)31-20(2)25(18-21-9-5-4-6-10-21)28-27(31)23-12-7-11-22(17-23)14-15-26(32)29-33/h4-7,9-12,14-15,17,24,33H,3,8,13,16,18-19H2,1-2H3,(H,29,32)/b15-14+/t24-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317945
PNG
(CHEMBL1095450 | N-hydroxy-3-(3-(5-methyl-1-(2-morp...)
Show SMILES Cc1c(nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-19-24(21-7-3-2-4-8-21)26-25(29(19)13-12-28-14-16-32-17-15-28)22-9-5-6-20(18-22)10-11-23(30)27-31/h2-11,18,31H,12-17H2,1H3,(H,27,30)/b11-10+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317983
PNG
(CHEMBL1099057 | N-hydroxy-3-(3-(1-(2-(piperidin-1-...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCN1CCCCC1
Show InChI InChI=1S/C23H26N4O2/c28-22(25-29)12-11-18-7-6-8-19(17-18)23-24-20-9-2-3-10-21(20)27(23)16-15-26-13-4-1-5-14-26/h2-3,6-12,17,29H,1,4-5,13-16H2,(H,25,28)/b12-11+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317959
PNG
(3-(3-(5-benzyl-4-methyl-1-(2-morpholinoethyl)-1H-i...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCN2CCOCC2)c1Cc1ccccc1
Show InChI InChI=1S/C26H30N4O3/c1-20-24(19-21-6-3-2-4-7-21)30(13-12-29-14-16-33-17-15-29)26(27-20)23-9-5-8-22(18-23)10-11-25(31)28-32/h2-11,18,32H,12-17,19H2,1H3,(H,28,31)/b11-10+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317952
PNG
((R)-N-hydroxy-3-(3-(4-methyl-1-(1-methylpiperidin-...)
Show SMILES CN1CCC[C@H](C1)n1c(nc(C)c1-c1ccccc1)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C25H28N4O2/c1-18-24(20-9-4-3-5-10-20)29(22-12-7-15-28(2)17-22)25(26-18)21-11-6-8-19(16-21)13-14-23(30)27-31/h3-6,8-11,13-14,16,22,31H,7,12,15,17H2,1-2H3,(H,27,30)/b14-13+/t22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317971
PNG
((R)-N-hydroxy-3-(3-(1-(piperidin-3-yl)-1H-benzo[d]...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1[C@@H]1CCCNC1
Show InChI InChI=1S/C21H22N4O2/c26-20(24-27)11-10-15-5-3-6-16(13-15)21-23-18-8-1-2-9-19(18)25(21)17-7-4-12-22-14-17/h1-3,5-6,8-11,13,17,22,27H,4,7,12,14H2,(H,24,26)/b11-10+/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317966
PNG
(CHEMBL1097761 | N-hydroxy-3-(3-(1-(3-phenylpropyl)...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCCc1ccccc1
Show InChI InChI=1S/C25H23N3O2/c29-24(27-30)16-15-20-10-6-12-21(18-20)25-26-22-13-4-5-14-23(22)28(25)17-7-11-19-8-2-1-3-9-19/h1-6,8-10,12-16,18,30H,7,11,17H2,(H,27,29)/b16-15+
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n/an/a 12n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317972
PNG
((S)-N-hydroxy-3-(3-(1-(piperidin-3-yl)-1H-benzo[d]...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1[C@H]1CCCNC1
Show InChI InChI=1S/C21H22N4O2/c26-20(24-27)11-10-15-5-3-6-16(13-15)21-23-18-8-1-2-9-19(18)25(21)17-7-4-12-22-14-17/h1-3,5-6,8-11,13,17,22,27H,4,7,12,14H2,(H,24,26)/b11-10+/t17-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317955
PNG
(3-(3-(4-benzyl-5-methyl-1-(2-morpholinoethyl)-1H-i...)
Show SMILES Cc1c(Cc2ccccc2)nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCN1CCOCC1
Show InChI InChI=1S/C26H30N4O3/c1-20-24(19-21-6-3-2-4-7-21)27-26(30(20)13-12-29-14-16-33-17-15-29)23-9-5-8-22(18-23)10-11-25(31)28-32/h2-11,18,32H,12-17,19H2,1H3,(H,28,31)/b11-10+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317963
PNG
((R)-3-(3-(1-(1-ethylpiperidin-3-yl)-4,5-dimethyl-1...)
Show SMILES CCN1CCC[C@H](C1)n1c(C)c(C)nc1-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C21H28N4O2/c1-4-24-12-6-9-19(14-24)25-16(3)15(2)22-21(25)18-8-5-7-17(13-18)10-11-20(26)23-27/h5,7-8,10-11,13,19,27H,4,6,9,12,14H2,1-3H3,(H,23,26)/b11-10+/t19-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317984
PNG
(CHEMBL1099058 | N-hydroxy-3-(3-(1-(2-(pyrrolidin-1...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCN1CCCC1
Show InChI InChI=1S/C22H24N4O2/c27-21(24-28)11-10-17-6-5-7-18(16-17)22-23-19-8-1-2-9-20(19)26(22)15-14-25-12-3-4-13-25/h1-2,5-11,16,28H,3-4,12-15H2,(H,24,27)/b11-10+
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n/an/a 16n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317941
PNG
((S)-N-hydroxy-3-(3-(1-(1-methylpiperidin-3-yl)-1H-...)
Show SMILES CN1CCC[C@@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C22H24N4O2/c1-25-13-5-8-18(15-25)26-20-10-3-2-9-19(20)23-22(26)17-7-4-6-16(14-17)11-12-21(27)24-28/h2-4,6-7,9-12,14,18,28H,5,8,13,15H2,1H3,(H,24,27)/b12-11+/t18-/m0/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317956
PNG
(3-(3-(4-benzyl-5-methyl-1-phenethyl-1H-imidazol-2-...)
Show SMILES Cc1c(Cc2ccccc2)nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)29-28(31(21)18-17-22-9-4-2-5-10-22)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317969
PNG
((S)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...)
Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/m0/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317946
PNG
(CHEMBL1095451 | N-hydroxy-3-(3-(5-methyl-1-pheneth...)
Show SMILES Cc1c(nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)28-27(30(20)18-17-21-9-4-2-5-10-21)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317942
PNG
((+/-)-3-(3-(1-(1-ethylpiperidin-3-yl)-1H-benzo[d]i...)
Show SMILES CCN1CCCC(C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50317966
PNG
(CHEMBL1097761 | N-hydroxy-3-(3-(1-(3-phenylpropyl)...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCCc1ccccc1
Show InChI InChI=1S/C25H23N3O2/c29-24(27-30)16-15-20-10-6-12-21(18-20)25-26-22-13-4-5-14-23(22)28(25)17-7-11-19-8-2-1-3-9-19/h1-6,8-10,12-16,18,30H,7,11,17H2,(H,27,29)/b16-15+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317968
PNG
((R)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...)
Show SMILES C[C@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317960
PNG
(3-(3-(5-benzyl-4-methyl-1-phenethyl-1H-imidazol-2-...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1Cc1ccccc1
Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)31(18-17-22-9-4-2-5-10-22)28(29-21)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317970
PNG
((+/-)-N-hydroxy-3-(3-(1-(piperidin-3-yl)-1H-benzo[...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1C1CCCNC1
Show InChI InChI=1S/C21H22N4O2/c26-20(24-27)11-10-15-5-3-6-16(13-15)21-23-18-8-1-2-9-19(18)25(21)17-7-4-12-22-14-17/h1-3,5-6,8-11,13,17,22,27H,4,7,12,14H2,(H,24,26)/b11-10+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317941
PNG
((S)-N-hydroxy-3-(3-(1-(1-methylpiperidin-3-yl)-1H-...)
Show SMILES CN1CCC[C@@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C22H24N4O2/c1-25-13-5-8-18(15-25)26-20-10-3-2-9-19(20)23-22(26)17-7-4-6-16(14-17)11-12-21(27)24-28/h2-4,6-7,9-12,14,18,28H,5,8,13,15H2,1H3,(H,24,27)/b12-11+/t18-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50317977
PNG
(3-(3-(1-cyclohexyl-1H-benzo[d]imidazol-2-yl)phenyl...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1C1CCCCC1
Show InChI InChI=1S/C22H23N3O2/c26-21(24-27)14-13-16-7-6-8-17(15-16)22-23-19-11-4-5-12-20(19)25(22)18-9-2-1-3-10-18/h4-8,11-15,18,27H,1-3,9-10H2,(H,24,26)/b14-13+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317977
PNG
(3-(3-(1-cyclohexyl-1H-benzo[d]imidazol-2-yl)phenyl...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1C1CCCCC1
Show InChI InChI=1S/C22H23N3O2/c26-21(24-27)14-13-16-7-6-8-17(15-16)22-23-19-11-4-5-12-20(19)25(22)18-9-2-1-3-10-18/h4-8,11-15,18,27H,1-3,9-10H2,(H,24,26)/b14-13+
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n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317951
PNG
(CHEMBL1096433 | N-hydroxy-3-(3-(4-methyl-1-pheneth...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)30(18-17-21-9-4-2-5-10-21)27(28-20)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+
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n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317966
PNG
(CHEMBL1097761 | N-hydroxy-3-(3-(1-(3-phenylpropyl)...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCCc1ccccc1
Show InChI InChI=1S/C25H23N3O2/c29-24(27-30)16-15-20-10-6-12-21(18-20)25-26-22-13-4-5-14-23(22)28(25)17-7-11-19-8-2-1-3-9-19/h1-6,8-10,12-16,18,30H,7,11,17H2,(H,27,29)/b16-15+
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n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317965
PNG
(CHEMBL1099096 | N-hydroxy-3-(3-(1-phenethyl-1H-ben...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCc1ccccc1
Show InChI InChI=1S/C24H21N3O2/c28-23(26-29)14-13-19-9-6-10-20(17-19)24-25-21-11-4-5-12-22(21)27(24)16-15-18-7-2-1-3-8-18/h1-14,17,29H,15-16H2,(H,26,28)/b14-13+
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n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50317972
PNG
((S)-N-hydroxy-3-(3-(1-(piperidin-3-yl)-1H-benzo[d]...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1[C@H]1CCCNC1
Show InChI InChI=1S/C21H22N4O2/c26-20(24-27)11-10-15-5-3-6-16(13-15)21-23-18-8-1-2-9-19(18)25(21)17-7-4-12-22-14-17/h1-3,5-6,8-11,13,17,22,27H,4,7,12,14H2,(H,24,26)/b11-10+/t17-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317968
PNG
((R)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...)
Show SMILES C[C@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317948
PNG
(6-(1-((R)-1-ethylpiperidin-3-yl)-5-methyl-4-phenyl...)
Show SMILES CCN1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1
Show InChI InChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-19(2)25(21-10-5-4-6-11-21)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31)/b15-14+/t23-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50317965
PNG
(CHEMBL1099096 | N-hydroxy-3-(3-(1-phenethyl-1H-ben...)
Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCc1ccccc1
Show InChI InChI=1S/C24H21N3O2/c28-23(26-29)14-13-19-9-6-10-20(17-19)24-25-21-11-4-5-12-22(21)27(24)16-15-18-7-2-1-3-8-18/h1-14,17,29H,15-16H2,(H,26,28)/b14-13+
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n/an/a 31n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317961
PNG
(3-(3-(4,5-dimethyl-1-(2-morpholinoethyl)-1H-imidaz...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCN2CCOCC2)c1C
Show InChI InChI=1S/C20H26N4O3/c1-15-16(2)24(9-8-23-10-12-27-13-11-23)20(21-15)18-5-3-4-17(14-18)6-7-19(25)22-26/h3-7,14,26H,8-13H2,1-2H3,(H,22,25)/b7-6+
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n/an/a 31n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317949
PNG
((R)-N-hydroxy-3-(3-(1-(1-isopropylpiperidin-3-yl)-...)
Show SMILES CC(C)N1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1
Show InChI InChI=1S/C27H32N4O2/c1-19(2)30-16-8-13-24(18-30)31-20(3)26(22-10-5-4-6-11-22)28-27(31)23-12-7-9-21(17-23)14-15-25(32)29-33/h4-7,9-12,14-15,17,19,24,33H,8,13,16,18H2,1-3H3,(H,29,32)/b15-14+/t24-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317944
PNG
((S)-3-(3-(1-(1-ethylpiperidin-3-yl)-1H-benzo[d]imi...)
Show SMILES CCN1CCC[C@@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+/t19-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50317962
PNG
(3-(3-(4,5-dimethyl-1-phenethyl-1H-imidazol-2-yl)ph...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1C
Show InChI InChI=1S/C22H23N3O2/c1-16-17(2)25(14-13-18-7-4-3-5-8-18)22(23-16)20-10-6-9-19(15-20)11-12-21(26)24-27/h3-12,15,27H,13-14H2,1-2H3,(H,24,26)/b12-11+
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317979
PNG
(3-(3-(1-(2-(diethylamino)ethyl)-1H-benzo[d]imidazo...)
Show SMILES CCN(CC)CCn1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C22H26N4O2/c1-3-25(4-2)14-15-26-20-11-6-5-10-19(20)23-22(26)18-9-7-8-17(16-18)12-13-21(27)24-28/h5-13,16,28H,3-4,14-15H2,1-2H3,(H,24,27)/b13-12+
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n/an/a 31n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317950
PNG
(CHEMBL1096432 | N-hydroxy-3-(3-(4-methyl-1-(2-morp...)
Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCN2CCOCC2)c1-c1ccccc1
Show InChI InChI=1S/C25H28N4O3/c1-19-24(21-7-3-2-4-8-21)29(13-12-28-14-16-32-17-15-28)25(26-19)22-9-5-6-20(18-22)10-11-23(30)27-31/h2-11,18,31H,12-17H2,1H3,(H,27,30)/b11-10+
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n/an/a 31n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Bioorg Med Chem Lett 20: 3138-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.092
BindingDB Entry DOI: 10.7270/Q2514058
More data for this
Ligand-Target Pair
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