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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with Target = 'Histone acetylases (HDACs)'   
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 acetylases (HDACs)


(Homo sapiens (Human))
BDBM65470
PNG
(Quinolone-based HDAC inhibitor 4i)
Show SMILES Cc1csc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)n1
Show InChI InChI=1S/C19H20N4O4S/c1-12-11-28-19(20-12)21-18(26)14-10-23(9-5-4-8-16(24)22-27)15-7-3-2-6-13(15)17(14)25/h2-3,6-7,10-11,27H,4-5,8-9H2,1H3,(H,22,24)(H,20,21,26)
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Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65471
PNG
(Quinolone-based HDAC inhibitor 4j)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2nc3ccccc3s2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H20N4O4S/c27-19(25-30)11-5-6-12-26-13-15(20(28)14-7-1-3-9-17(14)26)21(29)24-22-23-16-8-2-4-10-18(16)31-22/h1-4,7-10,13,30H,5-6,11-12H2,(H,25,27)(H,23,24,29)
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n/an/a 1.5n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65478
PNG
(Quinolone-based HDAC inhibitor 4o)
Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3cc(nn3C)-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C26H27N5O5/c1-30-23(15-21(28-30)17-8-4-3-5-9-17)27-26(34)20-16-31(13-7-6-10-24(32)29-35)22-12-11-18(36-2)14-19(22)25(20)33/h3-5,8-9,11-12,14-16,35H,6-7,10,13H2,1-2H3,(H,27,34)(H,29,32)
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n/an/a 10n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65479
PNG
(Quinolone-based HDAC inhibitor 4p)
Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
Show InChI InChI=1S/C23H22N4O5S/c1-32-14-9-10-18-15(12-14)21(29)16(13-27(18)11-5-4-8-20(28)26-31)22(30)25-23-24-17-6-2-3-7-19(17)33-23/h2-3,6-7,9-10,12-13,31H,4-5,8,11H2,1H3,(H,26,28)(H,24,25,30)
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n/an/a 28n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65481
PNG
(Quinolone-based HDAC inhibitor 4r)
Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
Show InChI InChI=1S/C22H22FN3O5/c1-31-16-8-6-15(7-9-16)24-22(29)18-13-26(11-3-2-4-20(27)25-30)19-10-5-14(23)12-17(19)21(18)28/h5-10,12-13,30H,2-4,11H2,1H3,(H,24,29)(H,25,27)
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n/an/a 28n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65475
PNG
(Quinolone-based HDAC inhibitor 4l)
Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccc(F)cc3)c(=O)c2c1
Show InChI InChI=1S/C22H22FN3O5/c1-31-16-9-10-19-17(12-16)21(28)18(13-26(19)11-3-2-4-20(27)25-30)22(29)24-15-7-5-14(23)6-8-15/h5-10,12-13,30H,2-4,11H2,1H3,(H,24,29)(H,25,27)
PDB

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n/an/a 32n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65474
PNG
(Quinolone-based HDAC inhibitor 4k)
Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C22H23N3O5/c1-30-16-10-11-19-17(13-16)21(27)18(22(28)23-15-7-3-2-4-8-15)14-25(19)12-6-5-9-20(26)24-29/h2-4,7-8,10-11,13-14,29H,5-6,9,12H2,1H3,(H,23,28)(H,24,26)
PDB

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n/an/a 32n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65458
PNG
(Quinolone-based HDAC inhibitor 4a)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C21H21N3O4/c25-19(23-28)12-6-7-13-24-14-17(20(26)16-10-4-5-11-18(16)24)21(27)22-15-8-2-1-3-9-15/h1-5,8-11,14,28H,6-7,12-13H2,(H,22,27)(H,23,25)
PDB

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n/an/a 32n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65485
PNG
(Quinolone-based HDAC inhibitor 4v)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2nc3ccccc3s2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C22H19FN4O4S/c23-13-8-9-17-14(11-13)20(29)15(12-27(17)10-4-3-7-19(28)26-31)21(30)25-22-24-16-5-1-2-6-18(16)32-22/h1-2,5-6,8-9,11-12,31H,3-4,7,10H2,(H,26,28)(H,24,25,30)
PDB

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n/an/a 39n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65463
PNG
(Quinolone-based HDAC inhibitor 4c)
Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C22H23N3O5/c1-30-16-11-9-15(10-12-16)23-22(28)18-14-25(13-5-4-8-20(26)24-29)19-7-3-2-6-17(19)21(18)27/h2-3,6-7,9-12,14,29H,4-5,8,13H2,1H3,(H,23,28)(H,24,26)
PDB

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n/an/a 39n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65480
PNG
(Quinolone-based HDAC inhibitor 4q)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C21H19F2N3O4/c22-13-4-7-15(8-5-13)24-21(29)17-12-26(10-2-1-3-19(27)25-30)18-9-6-14(23)11-16(18)20(17)28/h4-9,11-12,30H,1-3,10H2,(H,24,29)(H,25,27)
PDB

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n/an/a 40n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65469
PNG
(Quinolone-based HDAC inhibitor 4h)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2nccs2)c(=O)c2ccccc12
Show InChI InChI=1S/C18H18N4O4S/c23-15(21-26)7-3-4-9-22-11-13(17(25)20-18-19-8-10-27-18)16(24)12-5-1-2-6-14(12)22/h1-2,5-6,8,10-11,26H,3-4,7,9H2,(H,21,23)(H,19,20,25)
PDB

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n/an/a 42n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206287
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(p-tolylamino)pr...)
Show SMILES Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)C(=O)NO)c2c[nH]c3ccccc23)cc1 |r|
Show InChI InChI=1/C25H22N4O4/c1-15-6-12-18(13-7-15)27-25(32)22(20-14-26-21-5-3-2-4-19(20)21)28-23(30)16-8-10-17(11-9-16)24(31)29-33/h2-14,22,26,33H,1H3,(H,27,32)(H,28,30)(H,29,31)/t22-/s2
PDB

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n/an/a 74n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65476
PNG
(Quinolone-based HDAC inhibitor 4m)
Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(OC)cc3c2=O)cc1
Show InChI InChI=1S/C23H25N3O6/c1-31-16-8-6-15(7-9-16)24-23(29)19-14-26(12-4-3-5-21(27)25-30)20-11-10-17(32-2)13-18(20)22(19)28/h6-11,13-14,30H,3-5,12H2,1-2H3,(H,24,29)(H,25,27)
PDB

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n/an/a 75n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206286
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-((4-iodophenyl)amino)-...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1ccc(I)cc1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H19IN4O4/c25-16-9-11-17(12-10-16)27-24(32)21(19-13-26-20-4-2-1-3-18(19)20)28-22(30)14-5-7-15(8-6-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/s2
PDB

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n/an/a 78n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65484
PNG
(Quinolone-based HDAC inhibitor 4u)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2cc(F)ccc12
Show InChI InChI=1S/C20H19FN4O4/c21-13-4-5-17-15(11-13)19(27)16(20(28)23-14-6-8-22-9-7-14)12-25(17)10-2-1-3-18(26)24-29/h4-9,11-12,29H,1-3,10H2,(H,24,26)(H,22,23,28)
PDB

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n/an/a 85n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65468
PNG
(Quinolone-based HDAC inhibitor 4g)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H20N4O4/c25-18(23-28)7-3-4-12-24-13-16(19(26)15-5-1-2-6-17(15)24)20(27)22-14-8-10-21-11-9-14/h1-2,5-6,8-11,13,28H,3-4,7,12H2,(H,23,25)(H,21,22,27)
PDB

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n/an/a 90n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65472
PNG
(Quinolone-based HDAC inhibitor 4w)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2cc(nn2)-c2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C24H22N5O4/c30-22(28-33)12-6-7-13-29-15-18(23(31)17-10-4-5-11-20(17)29)24(32)25-21-14-19(26-27-21)16-8-2-1-3-9-16/h1-5,8-11,14-15,33H,6-7,12-13H2,(H,28,30)(H,25,27,32)
PDB

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n/an/a 95n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206285
PNG
((S)-N1-(1-((4-bromophenyl)amino)-3-(1H-indol-3-yl)...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1ccc(Br)cc1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H19BrN4O4/c25-16-9-11-17(12-10-16)27-24(32)21(19-13-26-20-4-2-1-3-18(19)20)28-22(30)14-5-7-15(8-6-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(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 110n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65464
PNG
(Quinolone-based HDAC inhibitor 4d)
Show SMILES ONC(=O)CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccccc12
Show InChI InChI=1S/C22H23N3O4/c26-20(24-29)12-6-7-13-25-15-18(21(27)17-10-4-5-11-19(17)25)22(28)23-14-16-8-2-1-3-9-16/h1-5,8-11,15,29H,6-7,12-14H2,(H,23,28)(H,24,26)
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n/an/a 120n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(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 131n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65477
PNG
(Quinolone-based HDAC inhibitor 4n)
Show SMILES COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccc(OC)c(OC)c3)c(=O)c2c1
Show InChI InChI=1S/C24H27N3O7/c1-32-16-8-9-19-17(13-16)23(29)18(14-27(19)11-5-4-6-22(28)26-31)24(30)25-15-7-10-20(33-2)21(12-15)34-3/h7-10,12-14,31H,4-6,11H2,1-3H3,(H,25,30)(H,26,28)
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n/an/a 150n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206284
PNG
((S)-N1-(1-((4-chlorophenyl)amino)-3-(1H-indol-3-yl...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1ccc(Cl)cc1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H19ClN4O4/c25-16-9-11-17(12-10-16)27-24(32)21(19-13-26-20-4-2-1-3-18(19)20)28-22(30)14-5-7-15(8-6-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/s2
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Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206281
PNG
((S)-N1-(1-((3-bromophenyl)amino)-3-(1H-indol-3-yl)...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1cccc(Br)c1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H19BrN4O4/c25-16-4-3-5-17(12-16)27-24(32)21(19-13-26-20-7-2-1-6-18(19)20)28-22(30)14-8-10-15(11-9-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/s2
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n/an/a 189n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206283
PNG
((S)-N1-(1-((4-fluorophenyl)amino)-3-(1H-indol-3-yl...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1ccc(F)cc1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H19FN4O4/c25-16-9-11-17(12-10-16)27-24(32)21(19-13-26-20-4-2-1-3-18(19)20)28-22(30)14-5-7-15(8-6-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/s2
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n/an/a 202n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206278
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-((naphthalen-1-ylmethy...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)NCc1cccc2ccccc12)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C29H24N4O4/c34-27(19-12-14-20(15-13-19)28(35)33-37)32-26(24-17-30-25-11-4-3-10-23(24)25)29(36)31-16-21-8-5-7-18-6-1-2-9-22(18)21/h1-15,17,26,30,37H,16H2,(H,31,36)(H,32,34)(H,33,35)/t26-/s2
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n/an/a 225n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206267
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(propylamino)pro...)
Show SMILES ONC(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NO)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C18H16N4O5/c23-16(10-5-7-11(8-6-10)17(24)21-26)20-15(18(25)22-27)13-9-19-14-4-2-1-3-12(13)14/h1-9,15,19,26-27H,(H,20,23)(H,21,24)(H,22,25)/t15-/s2
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n/an/a 227n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65483
PNG
(Quinolone-based HDAC inhibitor 4t)
Show SMILES COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1OC
Show InChI InChI=1S/C23H24FN3O6/c1-32-19-9-7-15(12-20(19)33-2)25-23(30)17-13-27(10-4-3-5-21(28)26-31)18-8-6-14(24)11-16(18)22(17)29/h6-9,11-13,31H,3-5,10H2,1-2H3,(H,25,30)(H,26,28)
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n/an/a 230n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206279
PNG
((S)-N1-(1-((3-fluorophenyl)amino)-3-(1H-indol-3-yl...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1cccc(F)c1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H19FN4O4/c25-16-4-3-5-17(12-16)27-24(32)21(19-13-26-20-7-2-1-6-18(19)20)28-22(30)14-8-10-15(11-9-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/s2
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n/an/a 234n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65459
PNG
(Quinolone-based HDAC inhibitor 4b)
Show SMILES ONC(=O)CCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc12
Show InChI InChI=1S/C21H20FN3O4/c22-14-8-10-15(11-9-14)23-21(28)17-13-25(12-4-3-7-19(26)24-29)18-6-2-1-5-16(18)20(17)27/h1-2,5-6,8-11,13,29H,3-4,7,12H2,(H,23,28)(H,24,26)
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n/an/a 270n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206277
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(phenethylamino)...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)NCCc1ccccc1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C26H24N4O4/c31-24(18-10-12-19(13-11-18)25(32)30-34)29-23(21-16-28-22-9-5-4-8-20(21)22)26(33)27-15-14-17-6-2-1-3-7-17/h1-13,16,23,28,34H,14-15H2,(H,27,33)(H,29,31)(H,30,32)/t23-/s2
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n/an/a 301n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65482
PNG
(Quinolone-based HDAC inhibitor 4s)
Show SMILES COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
Show InChI InChI=1S/C23H24FN3O5/c1-32-17-8-5-15(6-9-17)13-25-23(30)19-14-27(11-3-2-4-21(28)26-31)20-10-7-16(24)12-18(20)22(19)29/h5-10,12,14,31H,2-4,11,13H2,1H3,(H,25,30)(H,26,28)
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n/an/a 330n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206289
PNG
((S)-N1-(1-((4-ethoxyphenyl)amino)-3-(1H-indol-3-yl...)
Show SMILES CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)C(=O)NO)c2c[nH]c3ccccc23)cc1 |r|
Show InChI InChI=1/C26H24N4O5/c1-2-35-19-13-11-18(12-14-19)28-26(33)23(21-15-27-22-6-4-3-5-20(21)22)29-24(31)16-7-9-17(10-8-16)25(32)30-34/h3-15,23,27,34H,2H2,1H3,(H,28,33)(H,29,31)(H,30,32)/t23-/s2
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n/an/a 335n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206276
PNG
((S)-N1-(1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopro...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)NCc1ccccc1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C25H22N4O4/c30-23(17-10-12-18(13-11-17)24(31)29-33)28-22(20-15-26-21-9-5-4-8-19(20)21)25(32)27-14-16-6-2-1-3-7-16/h1-13,15,22,26,33H,14H2,(H,27,32)(H,28,30)(H,29,31)/t22-/s2
PDB

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n/an/a 346n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206280
PNG
((S)-N1-(1-((3-chlorophenyl)amino)-3-(1H-indol-3-yl...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1cccc(Cl)c1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H19ClN4O4/c25-16-4-3-5-17(12-16)27-24(32)21(19-13-26-20-7-2-1-6-18(19)20)28-22(30)14-8-10-15(11-9-14)23(31)29-33/h1-13,21,26,33H,(H,27,32)(H,28,30)(H,29,31)/t21-/s2
PDB

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antibodypedia
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n/an/a 360n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206275
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(phenylamino)pro...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H20N4O4/c29-22(15-10-12-16(13-11-15)23(30)28-32)27-21(24(31)26-17-6-2-1-3-7-17)19-14-25-20-9-5-4-8-18(19)20/h1-14,21,25,32H,(H,26,31)(H,27,29)(H,28,30)/t21-/s2
PDB

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antibodypedia
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GoogleScholar
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n/an/a 361n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65467
PNG
(Quinolone-based HDAC inhibitor 4f)
Show SMILES ONC(=O)CCCCn1cc(C(=O)NCc2cccs2)c(=O)c2ccccc12
Show InChI InChI=1S/C20H21N3O4S/c24-18(22-27)9-3-4-10-23-13-16(19(25)15-7-1-2-8-17(15)23)20(26)21-12-14-6-5-11-28-14/h1-2,5-8,11,13,27H,3-4,9-10,12H2,(H,21,26)(H,22,24)
PDB

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antibodypedia
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n/an/a 390n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM65466
PNG
(Quinolone-based HDAC inhibitor 4e)
Show SMILES COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1
Show InChI InChI=1S/C23H25N3O5/c1-31-17-11-9-16(10-12-17)14-24-23(29)19-15-26(13-5-4-8-21(27)25-30)20-7-3-2-6-18(20)22(19)28/h2-3,6-7,9-12,15,30H,4-5,8,13-14H2,1H3,(H,24,29)(H,25,27)
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n/an/a 410n/an/an/an/an/an/a



Orchid Chemicals & Pharmaceuticals Limited



Assay Description
Histone Deacetylase (HDAC) Inhibition Assay using Boc-Lys(Ac)-AMC Substrate: Inhibition of HDAC has been implicated to modulate transcription and to ...


J Enzyme Inhib Med Chem 29: 555-62 (2014)


Article DOI: 10.1021/bi9704360
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206288
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-((4-methoxyphenyl)amin...)
Show SMILES COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)C(=O)NO)c2c[nH]c3ccccc23)cc1 |r|
Show InChI InChI=1/C25H22N4O5/c1-34-18-12-10-17(11-13-18)27-25(32)22(20-14-26-21-5-3-2-4-19(20)21)28-23(30)15-6-8-16(9-7-15)24(31)29-33/h2-14,22,26,33H,1H3,(H,27,32)(H,28,30)(H,29,31)/t22-/s2
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n/an/a 413n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206274
PNG
((S)-N1-(1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-ox...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)NC1CCCCC1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C24H26N4O4/c29-22(15-10-12-16(13-11-15)23(30)28-32)27-21(24(31)26-17-6-2-1-3-7-17)19-14-25-20-9-5-4-8-18(19)20/h4-5,8-14,17,21,25,32H,1-3,6-7H2,(H,26,31)(H,27,29)(H,28,30)/t21-/s2
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n/an/a 416n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206282
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-((3-methoxyphenyl)amin...)
Show SMILES COc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)C(=O)NO)c2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1/C25H22N4O5/c1-34-18-6-4-5-17(13-18)27-25(32)22(20-14-26-21-8-3-2-7-19(20)21)28-23(30)15-9-11-16(12-10-15)24(31)29-33/h2-14,22,26,33H,1H3,(H,27,32)(H,28,30)(H,29,31)/t22-/s2
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n/an/a 435n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206272
PNG
((S)-N1-(1-(tert-butylamino)-3-(1H-indol-3-yl)-1-ox...)
Show SMILES CC(C)(C)NC(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NO)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C22H24N4O4/c1-22(2,3)25-21(29)18(16-12-23-17-7-5-4-6-15(16)17)24-19(27)13-8-10-14(11-9-13)20(28)26-30/h4-12,18,23,30H,1-3H3,(H,24,27)(H,25,29)(H,26,28)/t18-/s2
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n/an/a 504n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206271
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-(isobutylamino)-1-oxop...)
Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NO)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C22H24N4O4/c1-13(2)11-24-22(29)19(17-12-23-18-6-4-3-5-16(17)18)25-20(27)14-7-9-15(10-8-14)21(28)26-30/h3-10,12-13,19,23,30H,11H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)/t19-/s2
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n/an/a 527n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206273
PNG
((S)-N1-(1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-o...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)NC1CC1)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C21H20N4O4/c26-19(12-5-7-13(8-6-12)20(27)25-29)24-18(21(28)23-14-9-10-14)16-11-22-17-4-2-1-3-15(16)17/h1-8,11,14,18,22,29H,9-10H2,(H,23,28)(H,24,26)(H,25,27)/t18-/s2
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antibodypedia
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Article
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n/an/a 683n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206290
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-((4-(trifluorome...)
Show SMILES ONC(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)C(F)(F)F)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C25H19F3N4O4/c26-25(27,28)16-9-11-17(12-10-16)30-24(35)21(19-13-29-20-4-2-1-3-18(19)20)31-22(33)14-5-7-15(8-6-14)23(34)32-36/h1-13,21,29,36H,(H,30,35)(H,31,33)(H,32,34)/t21-/s2
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n/an/a 1.29E+3n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206268
PNG
((S)-N1-(3-(1H-indol-3-yl)-1-oxo-1-(propylamino)pro...)
Show SMILES CCCNC(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NO)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C21H22N4O4/c1-2-11-22-21(28)18(16-12-23-17-6-4-3-5-15(16)17)24-19(26)13-7-9-14(10-8-13)20(27)25-29/h3-10,12,18,23,29H,2,11H2,1H3,(H,22,28)(H,24,26)(H,25,27)/t18-/s2
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antibodypedia
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n/an/a 1.65E+3n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206269
PNG
((S)-N1-(1-(butylamino)-3-(1H-indol-3-yl)-1-oxoprop...)
Show SMILES CCCCNC(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NO)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C22H24N4O4/c1-2-3-12-23-22(29)19(17-13-24-18-7-5-4-6-16(17)18)25-20(27)14-8-10-15(11-9-14)21(28)26-30/h4-11,13,19,24,30H,2-3,12H2,1H3,(H,23,29)(H,25,27)(H,26,28)/t19-/s2
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antibodypedia
antibodypedia
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antibodypedia
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GoogleScholar
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UniChem
Article
PubMed
n/an/a 1.74E+3n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair
Histone acetylases (HDACs)


(Homo sapiens (Human))
BDBM206270
PNG
((S)-N1-(1-(dodecylamino)-3-(1H-indol-3-yl)-1-oxopr...)
Show SMILES CCCCCCCCNC(=O)[C@@H](NC(=O)c1ccc(cc1)C(=O)NO)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1/C26H32N4O4/c1-2-3-4-5-6-9-16-27-26(33)23(21-17-28-22-11-8-7-10-20(21)22)29-24(31)18-12-14-19(15-13-18)25(32)30-34/h7-8,10-15,17,23,28,34H,2-6,9,16H2,1H3,(H,27,33)(H,29,31)(H,30,32)/t23-/s2
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antibodypedia
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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Shandong University



Assay Description
In brief, 10 μL of HeLa nuclear extract was mixed with various concentrations of target compounds (50 μL), SAHA, using 100% and none HDACs ...


Chem Biol Drug Des 89: 38-46 (2017)


Article DOI: 10.1111/cbdd.12819
More data for this
Ligand-Target Pair