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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6541   
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 6


(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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US Patent
n/an/a 38n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
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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US Patent
n/an/a 232n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41558
PNG
(US8871728, 162f)
Show SMILES Oc1cccn(CCCCCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C22H20ClFN4O2/c1-22(2,3)14-7-8-18-16(10-14)19(27-30-18)21(29)26-17-11-25-28(20(17)23)12-13-5-4-6-15(24)9-13/h4-11H,12H2,1-3H3,(H,26,29)
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n/an/a 232n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430975
PNG
(CHEMBL2337867)
Show SMILES Cc1ccccc1-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-5-2-3-6-17(14)16-10-8-15(9-11-16)13-20-12-4-7-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 306n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41563
PNG
(US8871728, 167e)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2cccc(c2)C#N)c1=S
Show InChI InChI=1S/C17H24F3N3O2/c1-12-9-15(21-25-12)16(24)23-6-2-3-13(11-23)10-22-7-4-14(5-8-22)17(18,19)20/h9,13-14H,2-8,10-11H2,1H3
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n/an/a 356n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM138141
PNG
(US8871728, 149c)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccccc2[N+]#[C-])c1=S
Show InChI InChI=1S/C19H14N2OS/c1-20-17-6-3-2-5-16(17)15-10-8-14(9-11-15)13-21-12-4-7-18(22)19(21)23/h2-12,22H,13H2
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n/an/a 372n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430977
PNG
(CHEMBL2337869)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 454n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430981
PNG
(CHEMBL2337875)
Show SMILES Oc1cccn(Cc2ccccc2)c1=S
Show InChI InChI=1S/C12H11NOS/c14-11-7-4-8-13(12(11)15)9-10-5-2-1-3-6-10/h1-8,14H,9H2
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n/an/a 457n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41566
PNG
(US8871728, 168)
Show SMILES Oc1cccn(Cc2ccc(Cn3cc(nn3)-c3ccccc3)cc2)c1=S
Show InChI InChI=1S/C21H18N4OS/c26-20-7-4-12-24(21(20)27)13-16-8-10-17(11-9-16)14-25-15-19(22-23-25)18-5-2-1-3-6-18/h1-12,15,26H,13-14H2
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n/an/a 534n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41561
PNG
(US8871728, 167c)
Show SMILES Cc1ccccc1-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C20H25N3O2/c1-15-11-19(21-25-15)20(24)23-9-4-5-16(13-23)12-22-10-8-17-6-2-3-7-18(17)14-22/h2-3,6-7,11,16H,4-5,8-10,12-14H2,1H3
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n/an/a 637n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41565
PNG
(US8871728, 167g)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(C#N)c(c2)C(F)(F)F)c1=S
Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)16-11-14(6-7-15(16)12-24)17-13-28(26-25-17)10-3-1-2-8-27-9-4-5-18(29)19(27)30/h4-7,9,11,13,29H,1-3,8,10H2
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n/an/a 661n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430971
PNG
(CHEMBL2337874)
Show SMILES Oc1ccc[nH]c1=S
Show InChI InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
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n/an/a 681n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430977
PNG
(CHEMBL2337869)
Show SMILES Cc1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-8-16(9-5-14)17-10-6-15(7-11-17)13-20-12-2-3-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 800n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41559
PNG
(US8871728, 167a)
Show SMILES Cc1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C17H29N3O3/c1-13(2)19(8-9-22-4)11-15-6-5-7-20(12-15)17(21)16-10-14(3)23-18-16/h10,13,15H,5-9,11-12H2,1-4H3
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n/an/a 807n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430976
PNG
(CHEMBL2337868)
Show SMILES Cc1cccc(c1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-2-5-17(12-14)16-9-7-15(8-10-16)13-20-11-3-6-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 812n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430980
PNG
(CHEMBL2337873)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccccc2)c1=S
Show InChI InChI=1S/C18H15NOS/c20-17-7-4-12-19(18(17)21)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-12,20H,13H2
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US Patent
n/an/a 847n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41562
PNG
(US8871728, 167d)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S
Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3
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n/an/a 905n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41547
PNG
(US8871728, 162d)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C24H21FN4O2/c25-19-9-6-16(7-10-19)14-29-15-20(13-26-29)27-24(30)23-21-12-18(8-11-22(21)31-28-23)17-4-2-1-3-5-17/h1-7,9-10,13,15,18H,8,11-12,14H2,(H,27,30)
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n/an/a 911n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41547
PNG
(US8871728, 162d)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C24H21FN4O2/c25-19-9-6-16(7-10-19)14-29-15-20(13-26-29)27-24(30)23-21-12-18(8-11-22(21)31-28-23)17-4-2-1-3-5-17/h1-7,9-10,13,15,18H,8,11-12,14H2,(H,27,30)
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n/an/a 917n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430979
PNG
(CHEMBL2337872)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccc(cc2)C#N)c1=S
Show InChI InChI=1S/C19H14N2OS/c20-12-14-3-7-16(8-4-14)17-9-5-15(6-10-17)13-21-11-1-2-18(22)19(21)23/h1-11,22H,13H2
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n/an/a 957n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41564
PNG
(US8871728, 167f)
Show SMILES CN(C)c1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C20H25N5OS/c1-23(2)17-10-8-16(9-11-17)18-15-25(22-21-18)14-5-3-4-12-24-13-6-7-19(26)20(24)27/h6-11,13,15,26H,3-5,12,14H2,1-2H3
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n/an/a 1.01E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430972
PNG
(CHEMBL2337862)
Show SMILES CN(C)c1ccc(cc1)-n1cc(Cn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C16H17N5OS/c1-19(2)13-5-7-14(8-6-13)21-11-12(17-18-21)10-20-9-3-4-15(22)16(20)23/h3-9,11,22H,10H2,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41545
PNG
(US8871728, 162c)
Show SMILES Oc1cccn(CCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C19H18Cl2N4O2/c20-13-7-6-12(16(21)8-13)10-25-11-14(9-22-25)23-19(26)18-15-4-2-1-3-5-17(15)27-24-18/h6-9,11H,1-5,10H2,(H,23,26)
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n/an/a 1.09E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41560
PNG
(US8871728, 167b)
Show SMILES Cc1cccc(c1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C18H29N3O2/c1-3-8-20(11-15-6-7-15)12-16-5-4-9-21(13-16)18(22)17-10-14(2)23-19-17/h10,15-16H,3-9,11-13H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430981
PNG
(CHEMBL2337875)
Show SMILES Oc1cccn(Cc2ccccc2)c1=S
Show InChI InChI=1S/C12H11NOS/c14-11-7-4-8-13(12(11)15)9-10-5-2-1-3-6-10/h1-8,14H,9H2
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n/an/a 1.27E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41562
PNG
(US8871728, 167d)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S
Show InChI InChI=1S/C19H26N6O2/c1-15-11-17(22-27-15)19(26)25-6-2-3-16(14-25)13-23-7-9-24(10-8-23)18-12-20-4-5-21-18/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3
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n/an/a 1.47E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41564
PNG
(US8871728, 167f)
Show SMILES CN(C)c1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C20H25N5OS/c1-23(2)17-10-8-16(9-11-17)18-15-25(22-21-18)14-5-3-4-12-24-13-6-7-19(26)20(24)27/h6-11,13,15,26H,3-5,12,14H2,1-2H3
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n/an/a 1.48E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430982
PNG
(CHEMBL2337863)
Show SMILES Oc1cccn(Cc2cn(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C14H12N4OS/c19-13-7-4-8-17(14(13)20)9-11-10-18(16-15-11)12-5-2-1-3-6-12/h1-8,10,19H,9H2
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n/an/a 1.57E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41560
PNG
(US8871728, 167b)
Show SMILES Cc1cccc(c1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C18H29N3O2/c1-3-8-20(11-15-6-7-15)12-16-5-4-9-21(13-16)18(22)17-10-14(2)23-19-17/h10,15-16H,3-9,11-13H2,1-2H3
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n/an/a 1.66E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430984
PNG
(CHEMBL2337871)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2cccc(c2)C#N)c1=S
Show InChI InChI=1S/C19H14N2OS/c20-12-15-3-1-4-17(11-15)16-8-6-14(7-9-16)13-21-10-2-5-18(22)19(21)23/h1-11,22H,13H2
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n/an/a 1.70E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430972
PNG
(CHEMBL2337862)
Show SMILES CN(C)c1ccc(cc1)-n1cc(Cn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C16H17N5OS/c1-19(2)13-5-7-14(8-6-13)21-11-12(17-18-21)10-20-9-3-4-15(22)16(20)23/h3-9,11,22H,10H2,1-2H3
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n/an/a 1.87E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM138141
PNG
(US8871728, 149c)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccccc2[N+]#[C-])c1=S
Show InChI InChI=1S/C19H14N2OS/c1-20-17-6-3-2-5-16(17)15-10-8-14(9-11-15)13-21-12-4-7-18(22)19(21)23/h2-12,22H,13H2
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n/an/a 1.91E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430979
PNG
(CHEMBL2337872)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccc(cc2)C#N)c1=S
Show InChI InChI=1S/C19H14N2OS/c20-12-14-3-7-16(8-4-14)17-9-5-15(6-10-17)13-21-11-1-2-18(22)19(21)23/h1-11,22H,13H2
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n/an/a 2.08E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430973
PNG
(CHEMBL2337864)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccncc2)c1=S
Show InChI InChI=1S/C17H14N2OS/c20-16-2-1-11-19(17(16)21)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h1-11,20H,12H2
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n/an/a 2.20E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50430974
PNG
(CHEMBL2337865)
Show SMILES CN(C)c1ccc(cn1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H19N3OS/c1-21(2)18-10-9-16(12-20-18)15-7-5-14(6-8-15)13-22-11-3-4-17(23)19(22)24/h3-12,23H,13H2,1-2H3
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n/an/a 2.39E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41561
PNG
(US8871728, 167c)
Show SMILES Cc1ccccc1-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C20H25N3O2/c1-15-11-19(21-25-15)20(24)23-9-4-5-16(13-23)12-22-10-8-17-6-2-3-7-18(17)14-22/h2-3,6-7,11,16H,4-5,8-10,12-14H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430976
PNG
(CHEMBL2337868)
Show SMILES Cc1cccc(c1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-4-2-5-17(12-14)16-9-7-15(8-10-16)13-20-11-3-6-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41559
PNG
(US8871728, 167a)
Show SMILES Cc1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
Show InChI InChI=1S/C17H29N3O3/c1-13(2)19(8-9-22-4)11-15-6-5-7-20(12-15)17(21)16-10-14(3)23-18-16/h10,13,15H,5-9,11-12H2,1-4H3
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n/an/a 2.53E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430973
PNG
(CHEMBL2337864)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccncc2)c1=S
Show InChI InChI=1S/C17H14N2OS/c20-16-2-1-11-19(17(16)21)12-13-3-5-14(6-4-13)15-7-9-18-10-8-15/h1-11,20H,12H2
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n/an/a 2.78E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41563
PNG
(US8871728, 167e)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2cccc(c2)C#N)c1=S
Show InChI InChI=1S/C17H24F3N3O2/c1-12-9-15(21-25-12)16(24)23-6-2-3-13(11-23)10-22-7-4-14(5-8-22)17(18,19)20/h9,13-14H,2-8,10-11H2,1H3
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n/an/a 2.83E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430983
PNG
(CHEMBL2337866)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C20H20N2OS/c1-21(2)18-11-9-17(10-12-18)16-7-5-15(6-8-16)14-22-13-3-4-19(23)20(22)24/h3-13,23H,14H2,1-2H3
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n/an/a 2.86E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430975
PNG
(CHEMBL2337867)
Show SMILES Cc1ccccc1-c1ccc(Cn2cccc(O)c2=S)cc1
Show InChI InChI=1S/C19H17NOS/c1-14-5-2-3-6-17(14)16-10-8-15(9-11-16)13-20-12-4-7-18(21)19(20)22/h2-12,21H,13H2,1H3
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n/an/a 3.11E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41545
PNG
(US8871728, 162c)
Show SMILES Oc1cccn(CCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C19H18Cl2N4O2/c20-13-7-6-12(16(21)8-13)10-25-11-14(9-22-25)23-19(26)18-15-4-2-1-3-5-17(15)27-24-18/h6-9,11H,1-5,10H2,(H,23,26)
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n/an/a 3.30E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM41544
PNG
(US8871728, 162b)
Show SMILES Oc1cccn(CCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C18H17FN4O2/c19-13-7-5-12(6-8-13)10-23-11-14(9-20-23)21-18(24)17-15-3-1-2-4-16(15)25-22-17/h5-9,11H,1-4,10H2,(H,21,24)
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n/an/a 3.63E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430971
PNG
(CHEMBL2337874)
Show SMILES Oc1ccc[nH]c1=S
Show InChI InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
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n/an/a 3.68E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50430980
PNG
(CHEMBL2337873)
Show SMILES Oc1cccn(Cc2ccc(cc2)-c2ccccc2)c1=S
Show InChI InChI=1S/C18H15NOS/c20-17-7-4-12-19(18(17)21)13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-12,20H,13H2
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n/an/a 4.28E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41566
PNG
(US8871728, 168)
Show SMILES Oc1cccn(Cc2ccc(Cn3cc(nn3)-c3ccccc3)cc2)c1=S
Show InChI InChI=1S/C21H18N4OS/c26-20-7-4-12-24(21(20)27)13-16-8-10-17(11-9-16)14-25-15-19(22-23-25)18-5-2-1-3-6-18/h1-12,15,26H,13-14H2
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n/an/a 5.47E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41549
PNG
(US8871728, 162e)
Show SMILES Oc1cccn(CCCCCCn2cc(nn2)-c2ccccc2)c1=S
Show InChI InChI=1S/C18H13FN4O2/c19-13-7-5-12(6-8-13)10-23-11-14(9-20-23)21-18(24)17-15-3-1-2-4-16(15)25-22-17/h1-9,11H,10H2,(H,21,24)
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n/an/a 6.79E+3n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM41565
PNG
(US8871728, 167g)
Show SMILES Oc1cccn(CCCCCn2cc(nn2)-c2ccc(C#N)c(c2)C(F)(F)F)c1=S
Show InChI InChI=1S/C20H18F3N5OS/c21-20(22,23)16-11-14(6-7-15(16)12-24)17-13-28(26-25-17)10-3-1-2-8-27-9-4-5-18(29)19(27)30/h4-7,9,11,13,29H,1-3,8,10H2
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n/an/a 2.26E+4n/an/an/an/an/a25



Georgia Tech Research Corporation

US Patent


Assay Description
Fluor de Lys is a fluorescence based HDAC activity assay comprising a combination of fluorogenic Histone deAcetylase Lysyl substrate and a developer....


US Patent US8871728 (2014)


BindingDB Entry DOI: 10.7270/Q29885R4
More data for this
Ligand-Target Pair