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Compile Data Set for Download or QSAR

Found 365 hits from Acetylon Pharmaceuticals   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase


(Homo sapiens (human))
BDBM109968
PNG
(US8609678, 4-((2,6-difluorophenyl)(methyl)amino)-N...)
Show SMILES CN(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1c(F)cccc1F
Show InChI InChI=1S/C21H25F2N3O3/c1-26(20-17(22)7-6-8-18(20)23)16-12-10-15(11-13-16)21(28)24-14-5-3-2-4-9-19(27)25-29/h6-8,10-13,29H,2-5,9,14H2,1H3,(H,24,28)(H,25,27)
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n/an/a 2n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110027
PNG
(US8609678, N-(4-(7-(hydroxyamino)-7-oxoheptylcarba...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)N(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N3O4/c31-25(29-34)15-9-1-2-10-20-28-26(32)21-16-18-24(19-17-21)30(23-13-7-4-8-14-23)27(33)22-11-5-3-6-12-22/h3-8,11-14,16-19,34H,1-2,9-10,15,20H2,(H,28,32)(H,29,31)
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n/an/a 2n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110118
PNG
(US8609678, 2-(6,7-dimethoxy-3,4-dihydroisoquinolin...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1ncc(cn1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C23H31N5O5/c1-32-19-11-16-8-10-28(15-17(16)12-20(19)33-2)23-25-13-18(14-26-23)22(30)24-9-6-4-3-5-7-21(29)27-31/h11-14,31H,3-10,15H2,1-2H3,(H,24,30)(H,27,29)
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n/an/a 2n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109952
PNG
(US8609678, 4-((2,6-dichlorophenyl)(methyl)amino)-N...)
Show SMILES CN(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H25Cl2N3O3/c1-26(20-17(22)7-6-8-18(20)23)16-12-10-15(11-13-16)21(28)24-14-5-3-2-4-9-19(27)25-29/h6-8,10-13,29H,2-5,9,14H2,1H3,(H,24,28)(H,25,27)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109954
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(met...)
Show SMILES CN(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H26F3N3O3/c1-28(19-9-6-5-8-18(19)22(23,24)25)17-13-11-16(12-14-17)21(30)26-15-7-3-2-4-10-20(29)27-31/h5-6,8-9,11-14,31H,2-4,7,10,15H2,1H3,(H,26,30)(H,27,29)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109959
PNG
(US8609678, 4-(2,6-dimethylphenylamino)-N-(7-(hydro...)
Show SMILES Cc1cccc(C)c1Nc1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H29N3O3/c1-16-8-7-9-17(2)21(16)24-19-13-11-18(12-14-19)22(27)23-15-6-4-3-5-10-20(26)25-28/h7-9,11-14,24,28H,3-6,10,15H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109964
PNG
(US8609678, 4-(2,6-dichlorophenylamino)-N-(7-(hydro...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(Nc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H23Cl2N3O3/c21-16-6-5-7-17(22)19(16)24-15-11-9-14(10-12-15)20(27)23-13-4-2-1-3-8-18(26)25-28/h5-7,9-12,24,28H,1-4,8,13H2,(H,23,27)(H,25,26)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109965
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(phe...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)N(c1ccccc1)c1ncccn1
Show InChI InChI=1S/C24H27N5O3/c30-22(28-32)11-6-1-2-7-16-25-23(31)19-12-14-21(15-13-19)29(20-9-4-3-5-10-20)24-26-17-8-18-27-24/h3-5,8-10,12-15,17-18,32H,1-2,6-7,11,16H2,(H,25,31)(H,28,30)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109970
PNG
(US8609678, 4-(2,6-difluorophenylamino)-N-(7-(hydro...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(Nc2c(F)cccc2F)cc1
Show InChI InChI=1S/C20H23F2N3O3/c21-16-6-5-7-17(22)19(16)24-15-11-9-14(10-12-15)20(27)23-13-4-2-1-3-8-18(26)25-28/h5-7,9-12,24,28H,1-4,8,13H2,(H,23,27)(H,25,26)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109979
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(N-p...)
Show SMILES CC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H27N3O4/c1-17(26)25(19-9-5-4-6-10-19)20-14-12-18(13-15-20)22(28)23-16-8-3-2-7-11-21(27)24-29/h4-6,9-10,12-15,29H,2-3,7-8,11,16H2,1H3,(H,23,28)(H,24,27)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109980
PNG
(US8609678, 4-(benzo[d]oxazol-2-ylamino)-N-(7-(hydr...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(Nc2nc3ccccc3o2)cc1
Show InChI InChI=1S/C21H24N4O4/c26-19(25-28)9-3-1-2-6-14-22-20(27)15-10-12-16(13-11-15)23-21-24-17-7-4-5-8-18(17)29-21/h4-5,7-8,10-13,28H,1-3,6,9,14H2,(H,22,27)(H,23,24)(H,25,26)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109995
PNG
(US8609678, 4-(2,6-dimethylphenylamino)-2-fluoro-N-...)
Show SMILES Cc1cccc(C)c1Nc1ccc(C(=O)NCCCCCCC(=O)NO)c(F)c1
Show InChI InChI=1S/C22H28FN3O3/c1-15-8-7-9-16(2)21(15)25-17-11-12-18(19(23)14-17)22(28)24-13-6-4-3-5-10-20(27)26-29/h7-9,11-12,14,25,29H,3-6,10,13H2,1-2H3,(H,24,28)(H,26,27)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110028
PNG
(US8609678, 4-(bis(4-fluorophenyl)(hydroxy)methyl)-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N2O4/c28-23-14-10-21(11-15-23)27(34,22-12-16-24(29)17-13-22)20-8-6-19(7-9-20)26(33)30-18-4-2-1-3-5-25(32)31-35/h6-17,34-35H,1-5,18H2,(H,30,33)(H,31,32)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110030
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(met...)
Show SMILES COC(c1ccccc1)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1cccnc1
Show InChI InChI=1S/C27H31N3O4/c1-34-27(22-10-5-4-6-11-22,24-12-9-18-28-20-24)23-16-14-21(15-17-23)26(32)29-19-8-3-2-7-13-25(31)30-33/h4-6,9-12,14-18,20,33H,2-3,7-8,13,19H2,1H3,(H,29,32)(H,30,31)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110032
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(met...)
Show SMILES COC(c1ccccc1)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccn1
Show InChI InChI=1S/C27H31N3O4/c1-34-27(22-11-5-4-6-12-22,24-13-8-10-19-28-24)23-17-15-21(16-18-23)26(32)29-20-9-3-2-7-14-25(31)30-33/h4-6,8,10-13,15-19,33H,2-3,7,9,14,20H2,1H3,(H,29,32)(H,30,31)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110038
PNG
(US8609678, 7-(5-(2,6-dimethylphenylamino)-1-oxoiso...)
Show SMILES Cc1cccc(C)c1Nc1ccc2C(=O)N(CCCCCCC(=O)NO)Cc2c1
Show InChI InChI=1S/C23H29N3O3/c1-16-8-7-9-17(2)22(16)24-19-11-12-20-18(14-19)15-26(23(20)28)13-6-4-3-5-10-21(27)25-29/h7-9,11-12,14,24,29H,3-6,10,13,15H2,1-2H3,(H,25,27)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110044
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(met...)
Show SMILES COC(c1ccccc1)(c1ccncc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C27H31N3O4/c1-34-27(22-9-5-4-6-10-22,24-16-19-28-20-17-24)23-14-12-21(13-15-23)26(32)29-18-8-3-2-7-11-25(31)30-33/h4-6,9-10,12-17,19-20,33H,2-3,7-8,11,18H2,1H3,(H,29,32)(H,30,31)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110053
PNG
(US8609678, 4-(1-(4-fluorophenyl)-1-hydroxyethyl)-N...)
Show SMILES CC(O)(c1ccc(F)cc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H27FN2O4/c1-22(28,18-11-13-19(23)14-12-18)17-9-7-16(8-10-17)21(27)24-15-5-3-2-4-6-20(26)25-29/h7-14,28-29H,2-6,15H2,1H3,(H,24,27)(H,25,26)
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n/an/a 3n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110053
PNG
(US8609678, 4-(1-(4-fluorophenyl)-1-hydroxyethyl)-N...)
Show SMILES CC(O)(c1ccc(F)cc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H27FN2O4/c1-22(28,18-11-13-19(23)14-12-18)17-9-7-16(8-10-17)21(27)24-15-5-3-2-4-6-20(26)25-29/h7-14,28-29H,2-6,15H2,1H3,(H,24,27)(H,25,26)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110064
PNG
(US8609678, 4-(1-(4-fluorophenyl)-1-hydroxyethyl)-N...)
Show SMILES C[C@](O)(c1ccc(F)cc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H27FN2O4/c1-22(28,18-11-13-19(23)14-12-18)17-9-7-16(8-10-17)21(27)24-15-5-3-2-4-6-20(26)25-29/h7-14,28-29H,2-6,15H2,1H3,(H,24,27)(H,25,26)/t22-/m1/s1
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110065
PNG
(US8609678, 4-(1-(4-fluorophenyl)-1-hydroxyethyl)-N...)
Show SMILES C[C@@](O)(c1ccc(F)cc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H27FN2O4/c1-22(28,18-11-13-19(23)14-12-18)17-9-7-16(8-10-17)21(27)24-15-5-3-2-4-6-20(26)25-29/h7-14,28-29H,2-6,15H2,1H3,(H,24,27)(H,25,26)/t22-/m0/s1
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110067
PNG
(US8609678, 4-(1-(4-fluorophenyl)-1-methoxyethyl)-N...)
Show SMILES COC(C)(c1ccc(F)cc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C23H29FN2O4/c1-23(30-2,19-12-14-20(24)15-13-19)18-10-8-17(9-11-18)22(28)25-16-6-4-3-5-7-21(27)26-29/h8-15,29H,3-7,16H2,1-2H3,(H,25,28)(H,26,27)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110073
PNG
(US8609678, 4-(bis(2-fluorophenyl)(hydroxy)methyl)-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1ccccc1F)c1ccccc1F
Show InChI InChI=1S/C27H28F2N2O4/c28-23-11-6-4-9-21(23)27(34,22-10-5-7-12-24(22)29)20-16-14-19(15-17-20)26(33)30-18-8-2-1-3-13-25(32)31-35/h4-7,9-12,14-17,34-35H,1-3,8,13,18H2,(H,30,33)(H,31,32)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110087
PNG
(US8609678, 4-((4-fluorophenyl)(hydroxy)(pyridin-2-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1ccc(F)cc1)c1ccccn1
Show InChI InChI=1S/C26H28FN3O4/c27-22-15-13-21(14-16-22)26(33,23-7-4-6-17-28-23)20-11-9-19(10-12-20)25(32)29-18-5-2-1-3-8-24(31)30-34/h4,6-7,9-17,33-34H,1-3,5,8,18H2,(H,29,32)(H,30,31)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110089
PNG
(US8609678, 4-((4-fluorophenyl)(methoxy)(pyridin-2-...)
Show SMILES COC(c1ccc(F)cc1)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccn1
Show InChI InChI=1S/C27H30FN3O4/c1-35-27(24-8-5-7-18-29-24,22-14-16-23(28)17-15-22)21-12-10-20(11-13-21)26(33)30-19-6-3-2-4-9-25(32)31-34/h5,7-8,10-18,34H,2-4,6,9,19H2,1H3,(H,30,33)(H,31,32)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110096
PNG
(US8609678, 4-(2-(4-fluorophenyl)tetrahydrofuran-2-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C1(CCCO1)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN2O4/c25-21-13-11-20(12-14-21)24(15-5-17-31-24)19-9-7-18(8-10-19)23(29)26-16-4-2-1-3-6-22(28)27-30/h7-14,30H,1-6,15-17H2,(H,26,29)(H,27,28)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110101
PNG
(US8609678, 3-(hydroxy(4-(7-(hydroxyamino)-7-oxohep...)
Show SMILES CN(C)C(=O)c1cccc(c1)C(O)(c1ccccc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C30H35N3O5/c1-33(2)29(36)23-11-10-14-26(21-23)30(37,24-12-6-5-7-13-24)25-18-16-22(17-19-25)28(35)31-20-9-4-3-8-15-27(34)32-38/h5-7,10-14,16-19,21,37-38H,3-4,8-9,15,20H2,1-2H3,(H,31,35)(H,32,34)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110105
PNG
(US8609678, 3-((4-(7-(hydroxyamino)-7-oxoheptylcarb...)
Show SMILES COC(c1ccccc1)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1cccc(c1)C(=O)N(C)C
Show InChI InChI=1S/C31H37N3O5/c1-34(2)30(37)24-12-11-15-27(22-24)31(39-3,25-13-7-6-8-14-25)26-19-17-23(18-20-26)29(36)32-21-10-5-4-9-16-28(35)33-38/h6-8,11-15,17-20,22,38H,4-5,9-10,16,21H2,1-3H3,(H,32,36)(H,33,35)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110110
PNG
(US8609678, 2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H27N5O3/c27-19(25-29)9-3-1-2-6-11-22-20(28)18-13-23-21(24-14-18)26-12-10-16-7-4-5-8-17(16)15-26/h4-5,7-8,13-14,29H,1-3,6,9-12,15H2,(H,22,28)(H,25,27)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110112
PNG
(US8609678, 2-((2-(1H-indol-3-yl)ethyl)(2-hydroxyet...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)c1ncc(cn1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C24H32N6O4/c31-14-13-30(12-10-18-15-26-21-8-5-4-7-20(18)21)24-27-16-19(17-28-24)23(33)25-11-6-2-1-3-9-22(32)29-34/h4-5,7-8,15-17,26,31,34H,1-3,6,9-14H2,(H,25,33)(H,29,32)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109967
PNG
(US8609678, 4-((2-chloro-6-methylphenyl)(methyl)ami...)
Show SMILES CN(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1c(C)cccc1Cl
Show InChI InChI=1S/C22H28ClN3O3/c1-16-8-7-9-19(23)21(16)26(2)18-13-11-17(12-14-18)22(28)24-15-6-4-3-5-10-20(27)25-29/h7-9,11-14,29H,3-6,10,15H2,1-2H3,(H,24,28)(H,25,27)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109989
PNG
(US8609678, 4-((2-cyanophenyl)(methyl)amino)-N-(7-(...)
Show SMILES CN(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccc1C#N
Show InChI InChI=1S/C22H26N4O3/c1-26(20-9-6-5-8-18(20)16-23)19-13-11-17(12-14-19)22(28)24-15-7-3-2-4-10-21(27)25-29/h5-6,8-9,11-14,29H,2-4,7,10,15H2,1H3,(H,24,28)(H,25,27)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110004
PNG
(US8609678, 4-(2,6-dimethylphenylamino)-3-fluoro-N-...)
Show SMILES Cc1cccc(C)c1Nc1ccc(cc1F)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C22H28FN3O3/c1-15-8-7-9-16(2)21(15)25-19-12-11-17(14-18(19)23)22(28)24-13-6-4-3-5-10-20(27)26-29/h7-9,11-12,14,25,29H,3-6,10,13H2,1-2H3,(H,24,28)(H,26,27)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110015
PNG
(US8609678, 4-((2,6-dimethylphenyl)(pyrimidin-2-yl)...)
Show SMILES Cc1cccc(C)c1N(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ncccn1
Show InChI InChI=1S/C26H31N5O3/c1-19-9-7-10-20(2)24(19)31(26-28-17-8-18-29-26)22-14-12-21(13-15-22)25(33)27-16-6-4-3-5-11-23(32)30-34/h7-10,12-15,17-18,34H,3-6,11,16H2,1-2H3,(H,27,33)(H,30,32)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110025
PNG
(US8609678, 4-(hydroxy(phenyl)(pyridin-4-yl)methyl)...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C26H29N3O4/c30-24(29-33)10-6-1-2-7-17-28-25(31)20-11-13-22(14-12-20)26(32,21-8-4-3-5-9-21)23-15-18-27-19-16-23/h3-5,8-9,11-16,18-19,32-33H,1-2,6-7,10,17H2,(H,28,31)(H,29,30)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110033
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(hyd...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1ccccn1)c1ccccn1
Show InChI InChI=1S/C25H28N4O4/c30-23(29-33)11-3-1-2-6-18-28-24(31)19-12-14-20(15-13-19)25(32,21-9-4-7-16-26-21)22-10-5-8-17-27-22/h4-5,7-10,12-17,32-33H,1-3,6,11,18H2,(H,28,31)(H,29,30)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110036
PNG
(US8609678, 2-((2-chlorophenyl)(phenyl)amino)-N-(7-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110071
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-4-(1-m...)
Show SMILES COC(C)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccn1
Show InChI InChI=1S/C22H29N3O4/c1-22(29-2,19-9-6-8-15-23-19)18-13-11-17(12-14-18)21(27)24-16-7-4-3-5-10-20(26)25-28/h6,8-9,11-15,28H,3-5,7,10,16H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 4n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110081
PNG
(US8609678, 4-(bis(3,5-difluorophenyl)(hydroxy)meth...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C27H26F4N2O4/c28-21-11-19(12-22(29)15-21)27(36,20-13-23(30)16-24(31)14-20)18-8-6-17(7-9-18)26(35)32-10-4-2-1-3-5-25(34)33-37/h6-9,11-16,36-37H,1-5,10H2,(H,32,35)(H,33,34)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110100
PNG
(US8609678, 4-(hydroxy(4-(7-(hydroxyamino)-7-oxohep...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(O)(c1ccccc1)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C30H35N3O5/c1-33(2)29(36)23-15-19-26(20-16-23)30(37,24-10-6-5-7-11-24)25-17-13-22(14-18-25)28(35)31-21-9-4-3-8-12-27(34)32-38/h5-7,10-11,13-20,37-38H,3-4,8-9,12,21H2,1-2H3,(H,31,35)(H,32,34)
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n/an/a 4n/an/an/an/a7.4n/a



Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110104
PNG
(US8609678, 4-((4-(7-(hydroxyamino)-7-oxoheptylcarb...)
Show SMILES COC(c1ccccc1)(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C31H37N3O5/c1-34(2)30(37)24-16-20-27(21-17-24)31(39-3,25-11-7-6-8-12-25)26-18-14-23(15-19-26)29(36)32-22-10-5-4-9-13-28(35)33-38/h6-8,11-12,14-21,38H,4-5,9-10,13,22H2,1-3H3,(H,32,36)(H,33,35)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110120
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-p...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H30N6O3/c29-20(26-31)10-6-1-2-7-11-23-21(30)18-16-24-22(25-17-18)28-14-12-27(13-15-28)19-8-4-3-5-9-19/h3-5,8-9,16-17,31H,1-2,6-7,10-15H2,(H,23,30)(H,26,29)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110121
PNG
(US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-(...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C23H32N6O4/c1-33-20-9-7-19(8-10-20)28-12-14-29(15-13-28)23-25-16-18(17-26-23)22(31)24-11-5-3-2-4-6-21(30)27-32/h7-10,16-17,32H,2-6,11-15H2,1H3,(H,24,31)(H,27,30)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110127
PNG
(US8609678, 2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C23H31N5O4/c29-20(27-32)10-6-1-2-7-13-24-21(30)18-16-25-22(26-17-18)28-14-11-23(31,12-15-28)19-8-4-3-5-9-19/h3-5,8-9,16-17,31-32H,1-2,6-7,10-15H2,(H,24,30)(H,27,29)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110128
PNG
(US8609678, 2-(4-(4-chlorophenyl)-4-hydroxypiperidi...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N1CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN5O4/c24-19-8-6-18(7-9-19)23(32)10-13-29(14-11-23)22-26-15-17(16-27-22)21(31)25-12-4-2-1-3-5-20(30)28-33/h6-9,15-16,32-33H,1-5,10-14H2,(H,25,31)(H,28,30)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109960
PNG
(US8609678, 4-(ethyl(2-(trifluoromethyl)phenyl)amin...)
Show SMILES CCN(c1ccc(cc1)C(=O)NCCCCCCC(=O)NO)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C23H28F3N3O3/c1-2-29(20-10-7-6-9-19(20)23(24,25)26)18-14-12-17(13-15-18)22(31)27-16-8-4-3-5-11-21(30)28-32/h6-7,9-10,12-15,32H,2-5,8,11,16H2,1H3,(H,27,31)(H,28,30)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM109996
PNG
(US8609678, 4-((2,6-dimethylphenyl)(methyl)amino)-2...)
Show SMILES CN(c1ccc(C(=O)NCCCCCCC(=O)NO)c(F)c1)c1c(C)cccc1C
Show InChI InChI=1S/C23H30FN3O3/c1-16-9-8-10-17(2)22(16)27(3)18-12-13-19(20(24)15-18)23(29)25-14-7-5-4-6-11-21(28)26-30/h8-10,12-13,15,30H,4-7,11,14H2,1-3H3,(H,25,29)(H,26,28)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110037
PNG
(US8609678, 2-((2,6-dimethylphenyl)(phenyl)amino)-N...)
Show SMILES Cc1cccc(C)c1N(c1ccccc1)c1ncc(cn1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C26H31N5O3/c1-19-11-10-12-20(2)24(19)31(22-13-6-5-7-14-22)26-28-17-21(18-29-26)25(33)27-16-9-4-3-8-15-23(32)30-34/h5-7,10-14,17-18,34H,3-4,8-9,15-16H2,1-2H3,(H,27,33)(H,30,32)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110048
PNG
(US8609678, N-(4-(7-(hydroxyamino)-7-oxoheptylcarba...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)N(C(=O)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C26H28N4O4/c31-24(29-34)13-6-1-2-8-19-28-25(32)20-14-16-22(17-15-20)30(21-10-4-3-5-11-21)26(33)23-12-7-9-18-27-23/h3-5,7,9-12,14-18,34H,1-2,6,8,13,19H2,(H,28,32)(H,29,31)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM110050
PNG
(US8609678, 4-(bis(3-fluorophenyl)(hydroxy)methyl)-...)
Show SMILES ONC(=O)CCCCCCNC(=O)c1ccc(cc1)C(O)(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C27H28F2N2O4/c28-23-9-5-7-21(17-23)27(34,22-8-6-10-24(29)18-22)20-14-12-19(13-15-20)26(33)30-16-4-2-1-3-11-25(32)31-35/h5-10,12-15,17-18,34-35H,1-4,11,16H2,(H,30,33)(H,31,32)
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Acetylon Pharmaceuticals

US Patent


Assay Description
Compounds for testing were diluted in DMSO to 50 fold the final concentration and a ten point three fold dilution series was made. The compounds were...


US Patent US8609678 (2013)


BindingDB Entry DOI: 10.7270/Q25M64BS
More data for this
Ligand-Target Pair
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