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PubMed code 23627282

Compile data set for download or QSAR
Found 10 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))
BDBM50439673
PNG
(CHEMBL2417782)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCCC(=O)NO)n1
Show InChI InChI=1S/C22H30N4O5S/c1-22(2,3)31-21(29)23-16-10-8-9-15(13-16)17-14-32-20(24-17)25-18(27)11-6-4-5-7-12-19(28)26-30/h8-10,13-14,30H,4-7,11-12H2,1-3H3,(H,23,29)(H,26,28)(H,24,25,27)
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of His-6-tagged full length HDAC3 (unknown origin) expressed in sf9 cells and co-expressed in SMRT gene (395 to 489) using carboxyfluoresc...


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50439674
PNG
(RICOLINOSTAT | US8609678, 2-(diphenylamino)-N-(7-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
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PubMed
n/an/a 51n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using fluorophore tripeptide as substrate after 30 mins


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50261816
PNG
(CHEMBL511749 | tert-butyl 4-(3-((7-(hydroxyamino)-...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
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n/an/a 190n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide as substrate after 17 hrs by fluorescence-based electr...


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc from p53 as substrate


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50161470
PNG
(6-(2-Mercapto-acetylamino)-hexanoic acid quinolin-...)
Show SMILES SCC(=O)NCCCCCC(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C17H21N3O2S/c21-15(9-2-1-3-10-18-16(22)12-23)20-14-8-4-6-13-7-5-11-19-17(13)14/h4-8,11,23H,1-3,9-10,12H2,(H,18,22)(H,20,21)
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Article
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n/an/a 1.32E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50214437
PNG
(6-(3-adamantan-1-yl-ureido)hexanoic acid hydroxyam...)
Show SMILES ONC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,12:13:16:20.18.19|
Show InChI InChI=1S/C17H29N3O3/c21-15(20-23)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14,23H,1-11H2,(H,20,21)(H2,18,19,22)
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n/an/a 1.56E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50439672
PNG
(CHEMBL2417783)
Show SMILES Cc1onc(c1C(=O)NCCCCCNC(=O)CS)-c1ccccc1
Show InChI InChI=1S/C18H23N3O3S/c1-13-16(17(21-24-13)14-8-4-2-5-9-14)18(23)20-11-7-3-6-10-19-15(22)12-25/h2,4-5,8-9,25H,3,6-7,10-12H2,1H3,(H,19,22)(H,20,23)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50439671
PNG
(CHEMBL2417784)
Show SMILES C[C@@H](S)C(=O)NCCCCCNC(=O)c1c(C)onc1-c1ccccc1 |r|
Show InChI InChI=1S/C19H25N3O3S/c1-13-16(17(22-25-13)15-9-5-3-6-10-15)19(24)21-12-8-4-7-11-20-18(23)14(2)26/h3,5-6,9-10,14,26H,4,7-8,11-12H2,1-2H3,(H,20,23)(H,21,24)/t14-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc from p53 as substrate


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50015144
PNG
(2-(4-Butoxy-phenyl)-N-hydroxy-acetamide | Bufexama...)
Show SMILES CCCCOc1ccc(CC(=O)NO)cc1
Show InChI InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
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Article
PubMed
n/an/an/a 3.41E+5n/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin)


J Med Chem 56: 6297-313 (2013)


Article DOI: 10.1021/jm4001659
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%