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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'madriaga' and Initial = 'a'   
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 3


(Homo sapiens (Human))
BDBM50356634
PNG
(CHEMBL1914702)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36)
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23n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50356635
PNG
(CHEMBL1914708)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])c1
Show InChI InChI=1S/C19H24N10O3/c20-27-22-10-14-7-15(9-16(8-14)25-28-21)12-29-13-17(11-23-29)24-18(30)5-3-1-2-4-6-19(31)26-32/h7-9,11,13,32H,1-6,10,12H2,(H,24,30)(H,26,31)
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64n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50299972
PNG
(CHEMBL585164 | Octanedioic Acid [4-(3-Azido-5-azid...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Show InChI InChI=1S/C22H26N8O4/c23-29-25-14-16-11-17(13-19(12-16)27-30-24)15-34-20-9-7-18(8-10-20)26-21(31)5-3-1-2-4-6-22(32)28-33/h7-13,33H,1-6,14-15H2,(H,26,31)(H,28,32)
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740n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50356635
PNG
(CHEMBL1914708)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])c1
Show InChI InChI=1S/C19H24N10O3/c20-27-22-10-14-7-15(9-16(8-14)25-28-21)12-29-13-17(11-23-29)24-18(30)5-3-1-2-4-6-19(31)26-32/h7-9,11,13,32H,1-6,10,12H2,(H,24,30)(H,26,31)
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n/an/a 17n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
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 29n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
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 34n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50356634
PNG
(CHEMBL1914702)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36)
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n/an/a 45n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a 52n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387965
PNG
(CHEMBL2057824)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23)
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n/an/a 70n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387965
PNG
(CHEMBL2057824)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23)
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n/an/a 110n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50356635
PNG
(CHEMBL1914708)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1cnn(Cc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])c1
Show InChI InChI=1S/C19H24N10O3/c20-27-22-10-14-7-15(9-16(8-14)25-28-21)12-29-13-17(11-23-29)24-18(30)5-3-1-2-4-6-19(31)26-32/h7-9,11,13,32H,1-6,10,12H2,(H,24,30)(H,26,31)
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n/an/a 128n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387967
PNG
(CHEMBL2057823)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25)
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n/an/a 140n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a 140n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 200n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387967
PNG
(CHEMBL2057823)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25)
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n/an/a 210n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 260n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387973
PNG
(CHEMBL2057822)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1cccs1
Show InChI InChI=1S/C27H23N9O3S/c28-23-8-7-21(25-2-1-9-40-25)13-24(23)33-26(37)20-5-3-17(4-6-20)14-31-27(38)39-16-19-10-18(15-32-35-29)11-22(12-19)34-36-30/h1-13H,14-16,28H2,(H,31,38)(H,33,37)
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n/an/a 300n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387966
PNG
(CHEMBL2057820)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)
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n/an/a 320n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387964
PNG
(CHEMBL2057821)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C29H25N9O3/c30-26-11-10-24(22-4-2-1-3-5-22)15-27(26)35-28(39)23-8-6-19(7-9-23)16-33-29(40)41-18-21-12-20(17-34-37-31)13-25(14-21)36-38-32/h1-15H,16-18,30H2,(H,33,40)(H,35,39)
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n/an/a 350n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a 350n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 390n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a 410n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 440n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50356634
PNG
(CHEMBL1914702)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cc(on1)-c1ccc(NC(=O)c2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Show InChI InChI=1S/C25H26N10O5/c26-34-29-15-16-11-18(13-20(12-16)31-35-27)24(37)30-19-8-6-17(7-9-19)22-14-21(33-40-22)25(38)28-10-4-2-1-3-5-23(36)32-39/h6-9,11-14,39H,1-5,10,15H2,(H,28,38)(H,30,37)(H,32,36)
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n/an/a 651n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387965
PNG
(CHEMBL2057824)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23)
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n/an/a 690n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50229191
PNG
(CHEMBL252409 | US9096559, 15 | [4-(4-amino-bipheny...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H25N3O3/c29-25-16-15-24(22-9-5-2-6-10-22)17-26(25)31-27(32)23-13-11-20(12-14-23)18-30-28(33)34-19-21-7-3-1-4-8-21/h1-17H,18-19,29H2,(H,30,33)(H,31,32)
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n/an/a 740n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387971
PNG
(CHEMBL2057828)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C19H16N8O2S/c20-14-5-3-12(18-2-1-9-30-18)10-15(14)24-19(28)13-4-6-17(16(11-13)25-27-22)29-8-7-23-26-21/h1-6,9-11H,7-8,20H2,(H,24,28)
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n/an/a 750n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387966
PNG
(CHEMBL2057820)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)
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n/an/a 780n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387970
PNG
(CHEMBL2057827)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1ccccc1
Show InChI InChI=1S/C21H18N8O2/c22-17-8-6-15(14-4-2-1-3-5-14)12-18(17)26-21(30)16-7-9-20(19(13-16)27-29-24)31-11-10-25-28-23/h1-9,12-13H,10-11,22H2,(H,26,30)
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n/an/a 830n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387964
PNG
(CHEMBL2057821)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C29H25N9O3/c30-26-11-10-24(22-4-2-1-3-5-22)15-27(26)35-28(39)23-8-6-19(7-9-23)16-33-29(40)41-18-21-12-20(17-34-37-31)13-25(14-21)36-38-32/h1-15H,16-18,30H2,(H,33,40)(H,35,39)
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n/an/a 990n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387966
PNG
(CHEMBL2057820)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387973
PNG
(CHEMBL2057822)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1cccs1
Show InChI InChI=1S/C27H23N9O3S/c28-23-8-7-21(25-2-1-9-40-25)13-24(23)33-26(37)20-5-3-17(4-6-20)14-31-27(38)39-16-19-10-18(15-32-35-29)11-22(12-19)34-36-30/h1-13H,14-16,28H2,(H,31,38)(H,33,37)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387967
PNG
(CHEMBL2057823)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25)
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387964
PNG
(CHEMBL2057821)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C29H25N9O3/c30-26-11-10-24(22-4-2-1-3-5-22)15-27(26)35-28(39)23-8-6-19(7-9-23)16-33-29(40)41-18-21-12-20(17-34-37-31)13-25(14-21)36-38-32/h1-15H,16-18,30H2,(H,33,40)(H,35,39)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387965
PNG
(CHEMBL2057824)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50232053
PNG
(CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387973
PNG
(CHEMBL2057822)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1cccs1
Show InChI InChI=1S/C27H23N9O3S/c28-23-8-7-21(25-2-1-9-40-25)13-24(23)33-26(37)20-5-3-17(4-6-20)14-31-27(38)39-16-19-10-18(15-32-35-29)11-22(12-19)34-36-30/h1-13H,14-16,28H2,(H,31,38)(H,33,37)
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n/an/a 1.21E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387968
PNG
(CHEMBL2057825)
Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C18H14N8OS/c19-15-4-3-12(17-2-1-5-28-17)9-16(15)23-18(27)13-6-11(10-22-25-20)7-14(8-13)24-26-21/h1-9H,10,19H2,(H,23,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50299972
PNG
(CHEMBL585164 | Octanedioic Acid [4-(3-Azido-5-azid...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1
Show InChI InChI=1S/C22H26N8O4/c23-29-25-14-16-11-17(13-19(12-16)27-30-24)15-34-20-9-7-18(8-10-20)26-21(31)5-3-1-2-4-6-22(32)28-33/h7-13,33H,1-6,14-15H2,(H,26,31)(H,28,32)
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n/an/a 1.48E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...


Bioorg Med Chem Lett 22: 6621-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.104
BindingDB Entry DOI: 10.7270/Q2GX4CQR
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50229191
PNG
(CHEMBL252409 | US9096559, 15 | [4-(4-amino-bipheny...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H25N3O3/c29-25-16-15-24(22-9-5-2-6-10-22)17-26(25)31-27(32)23-13-11-20(12-14-23)18-30-28(33)34-19-21-7-3-1-4-8-21/h1-17H,18-19,29H2,(H,30,33)(H,31,32)
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n/an/a 1.88E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387967
PNG
(CHEMBL2057823)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1ccccc1
Show InChI InChI=1S/C19H15N5O/c20-17-11-8-15(13-4-2-1-3-5-13)12-18(17)22-19(25)14-6-9-16(10-7-14)23-24-21/h1-12H,20H2,(H,22,25)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387968
PNG
(CHEMBL2057825)
Show SMILES Nc1ccc(cc1NC(=O)c1cc(CN=[N+]=[N-])cc(c1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C18H14N8OS/c19-15-4-3-12(17-2-1-5-28-17)9-16(15)23-18(27)13-6-11(10-22-25-20)7-14(8-13)24-26-21/h1-9H,10,19H2,(H,23,27)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 24 hrs measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387964
PNG
(CHEMBL2057821)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C29H25N9O3/c30-26-11-10-24(22-4-2-1-3-5-22)15-27(26)35-28(39)23-8-6-19(7-9-23)16-33-29(40)41-18-21-12-20(17-34-37-31)13-25(14-21)36-38-32/h1-15H,16-18,30H2,(H,33,40)(H,35,39)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387970
PNG
(CHEMBL2057827)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1ccccc1
Show InChI InChI=1S/C21H18N8O2/c22-17-8-6-15(14-4-2-1-3-5-14)12-18(17)26-21(30)16-7-9-20(19(13-16)27-29-24)31-11-10-25-28-23/h1-9,12-13H,10-11,22H2,(H,26,30)
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387973
PNG
(CHEMBL2057822)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cc(CN=[N+]=[N-])cc(c2)N=[N+]=[N-])cc1)-c1cccs1
Show InChI InChI=1S/C27H23N9O3S/c28-23-8-7-21(25-2-1-9-40-25)13-24(23)33-26(37)20-5-3-17(4-6-20)14-31-27(38)39-16-19-10-18(15-32-35-29)11-22(12-19)34-36-30/h1-13H,14-16,28H2,(H,31,38)(H,33,37)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387965
PNG
(CHEMBL2057824)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387966
PNG
(CHEMBL2057820)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50387971
PNG
(CHEMBL2057828)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(OCCN=[N+]=[N-])c(c1)N=[N+]=[N-])-c1cccs1
Show InChI InChI=1S/C19H16N8O2S/c20-14-5-3-12(18-2-1-9-30-18)10-15(14)24-19(28)13-4-6-17(16(11-13)25-27-22)29-8-7-23-26-21/h1-6,9-11H,7-8,20H2,(H,24,28)
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 3 hrs measured after 35 mins by spectroflu...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50387966
PNG
(CHEMBL2057820)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccc(c2)N=[N+]=[N-])cc1)-c1ccccc1
Show InChI InChI=1S/C28H24N6O3/c29-25-14-13-23(21-6-2-1-3-7-21)16-26(25)32-27(35)22-11-9-19(10-12-22)17-31-28(36)37-18-20-5-4-8-24(15-20)33-34-30/h1-16H,17-18,29H2,(H,31,36)(H,32,35)
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using Boc-L-Lys (Ac)-AMC as substrate preincubated with compound for 5 mins measured after 35 mins by spectrofl...


Bioorg Med Chem Lett 22: 5025-30 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.017
BindingDB Entry DOI: 10.7270/Q2F76DNT
More data for this
Ligand-Target Pair
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