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PubMed code 23964961

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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))
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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Article
PubMed
n/an/a 106n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length FLAG-tagged recombinant HDAC3 (unknown origin) transfected in human HeLa cells assessed as deacetylation of [3H]-acetylated...


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc as substrate


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50440912
PNG
(CHEMBL2431862)
Show SMILES Cn1cccc1C(=O)NCc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H15N3O3/c1-17-8-2-3-12(17)14(19)15-9-10-4-6-11(7-5-10)13(18)16-20/h2-8,20H,9H2,1H3,(H,15,19)(H,16,18)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc as substrate


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50440907
PNG
(CHEMBL2431901)
Show SMILES Cn1cccc1C(=O)N1CCc2cc(ccc2C1)C(=O)NO
Show InChI InChI=1S/C16H17N3O3/c1-18-7-2-3-14(18)16(21)19-8-6-11-9-12(15(20)17-22)4-5-13(11)10-19/h2-5,7,9,22H,6,8,10H2,1H3,(H,17,20)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50440910
PNG
(CHEMBL2431906)
Show SMILES Cn1cccc1C(=O)N1Cc2ccc(cc2C1)C(=O)NO
Show InChI InChI=1S/C15H15N3O3/c1-17-6-2-3-13(17)15(20)18-8-11-5-4-10(14(19)16-21)7-12(11)9-18/h2-7,21H,8-9H2,1H3,(H,16,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50440911
PNG
(CHEMBL2431902)
Show SMILES CC(C)(C)C(=O)N1CCc2cc(ccc2C1)C(=O)NO
Show InChI InChI=1S/C15H20N2O3/c1-15(2,3)14(19)17-7-6-10-8-11(13(18)16-20)4-5-12(10)9-17/h4-5,8,20H,6-7,9H2,1-3H3,(H,16,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50440908
PNG
(CHEMBL2431912)
Show SMILES Cn1cccc1C(=O)N1CCCc2cc(ccc2C1)C(=O)NO
Show InChI InChI=1S/C17H19N3O3/c1-19-8-3-5-15(19)17(22)20-9-2-4-12-10-13(16(21)18-23)6-7-14(12)11-20/h3,5-8,10,23H,2,4,9,11H2,1H3,(H,18,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50440909
PNG
(CHEMBL2431907)
Show SMILES CC(C)(C)C(=O)N1Cc2ccc(cc2C1)C(=O)NO
Show InChI InChI=1S/C14H18N2O3/c1-14(2,3)13(18)16-7-10-5-4-9(12(17)15-19)6-11(10)8-16/h4-6,19H,7-8H2,1-3H3,(H,15,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...


J Med Chem 56: 7201-11 (2013)


Article DOI: 10.1021/jm400385r
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%