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Patent code US9617259

Compile Data Set for Download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293914
PNG
((S)-3-(Benzo[d]thiazol-5- yl)-1-(3-fluoro-2- methy...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2scnc2c1)C(=O)NO
Show InChI InChI=1S/C20H17FN2O2S/c1-12-15(3-2-4-16(12)21)20(19(24)23-25)8-7-14(10-20)13-5-6-18-17(9-13)22-11-26-18/h2-6,9-11,25H,7-8H2,1H3,(H,23,24)/t20-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293916
PNG
((S)-1-(3,4-Difluoro-2- methylphenyl)-N- hydroxy-3-...)
Show SMILES Cc1c(F)c(F)ccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO
Show InChI InChI=1S/C21H19F2N3O2/c1-12-16(5-6-17(22)19(12)23)21(20(27)25-28)8-7-14(10-21)13-3-4-15-11-24-26(2)18(15)9-13/h3-6,9-11,28H,7-8H2,1-2H3,(H,25,27)/t21-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293900
PNG
((S)-3-(5-Chloro-6- methylpyridin-3-yl)-1-(3- fluor...)
Show SMILES Cc1ncc(cc1Cl)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C19H18ClFN2O2/c1-11-15(4-3-5-17(11)21)19(18(24)23-25)7-6-13(9-19)14-8-16(20)12(2)22-10-14/h3-5,8-10,25H,6-7H2,1-2H3,(H,23,24)/t19-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293899
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(6- ...)
Show SMILES Cc1ccc(cn1)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C19H19FN2O2/c1-12-6-7-15(11-21-12)14-8-9-19(10-14,18(23)22-24)16-4-3-5-17(20)13(16)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293911
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...)
Show SMILES Cc1ncccc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C19H19FN2O2/c1-12-16(6-3-7-17(12)20)19(18(23)22-24)9-8-14(11-19)15-5-4-10-21-13(15)2/h3-7,10-11,24H,8-9H2,1-2H3,(H,22,23)/t19-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293880
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-3-(5- fluoropyrid...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(F)c1)C(=O)NO
Show InChI InChI=1S/C18H16F2N2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7-10,24H,5-6H2,1H3,(H,22,23)/t18-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293895
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(imi...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccn2ccnc2c1)C(=O)NO
Show InChI InChI=1S/C20H18FN3O2/c1-13-16(3-2-4-17(13)21)20(19(25)23-26)7-5-15(12-20)14-6-9-24-10-8-22-18(24)11-14/h2-4,6,8-12,26H,5,7H2,1H3,(H,23,25)/t20-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293912
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-m...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2cnn(C)c2c1)C(=O)NO
Show InChI InChI=1S/C21H20FN3O2/c1-13-17(4-3-5-18(13)22)21(20(26)24-27)9-8-15(11-21)14-6-7-16-12-23-25(2)19(16)10-14/h3-7,10-12,27H,8-9H2,1-2H3,(H,24,26)/t21-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293886
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(qui...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2nccnc2c1)C(=O)NO
Show InChI InChI=1S/C21H18FN3O2/c1-13-16(3-2-4-17(13)22)21(20(26)25-27)8-7-15(12-21)14-5-6-18-19(11-14)24-10-9-23-18/h2-6,9-12,27H,7-8H2,1H3,(H,25,26)/t21-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293902
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-(...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(CC(F)(F)F)c1)C(=O)NO
Show InChI InChI=1S/C18H17F4N3O2/c1-11-14(3-2-4-15(11)19)17(16(26)24-27)6-5-12(7-17)13-8-23-25(9-13)10-18(20,21)22/h2-4,7-9,27H,5-6,10H2,1H3,(H,24,26)/t17-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293892
PNG
((S)-3-(1-(Difluoromethyl)- 1H-pyrazol-4-yl)-1-(3- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnn(c1)C(F)F)C(=O)NO
Show InChI InChI=1S/C17H16F3N3O2/c1-10-13(3-2-4-14(10)18)17(15(24)22-25)6-5-11(7-17)12-8-21-23(9-12)16(19)20/h2-4,7-9,16,25H,5-6H2,1H3,(H,22,24)/t17-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293876
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3- phe...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C19H18FNO2/c1-13-16(8-5-9-17(13)20)19(18(22)21-23)11-10-15(12-19)14-6-3-2-4-7-14/h2-9,12,23H,10-11H2,1H3,(H,21,22)/t19-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293915
PNG
((S)-3-(Benzo[b]thiophen- 2-yl)-1-(3-fluoro-2- meth...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cc2ccccc2s1)C(=O)NO
Show InChI InChI=1S/C21H18FNO2S/c1-13-16(6-4-7-17(13)22)21(20(24)23-25)10-9-15(12-21)19-11-14-5-2-3-8-18(14)26-19/h2-8,11-12,25H,9-10H2,1H3,(H,23,24)/t21-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293878
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(o- ...)
Show SMILES Cc1ccccc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C20H20FNO2/c1-13-6-3-4-7-16(13)15-10-11-20(12-15,19(23)22-24)17-8-5-9-18(21)14(17)2/h3-9,12,24H,10-11H2,1-2H3,(H,22,23)/t20-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293898
PNG
((S)-3-(2- Cyclopropylpyrimidin-5- yl)-1-(3-fluoro-...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnc(nc1)C1CC1)C(=O)NO
Show InChI InChI=1S/C20H20FN3O2/c1-12-16(3-2-4-17(12)21)20(19(25)24-26)8-7-14(9-20)15-10-22-18(23-11-15)13-5-6-13/h2-4,9-11,13,26H,5-8H2,1H3,(H,24,25)/t20-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293885
PNG
((S)-3-(5-Chloropyridin-3- yl)-1-(3-fluoro-2- methy...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(Cl)c1)C(=O)NO
Show InChI InChI=1S/C18H16ClFN2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7-10,24H,5-6H2,1H3,(H,22,23)/t18-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293901
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(1-m...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccnn1C)C(=O)NO
Show InChI InChI=1S/C17H18FN3O2/c1-11-13(4-3-5-14(11)18)17(16(22)20-23)8-6-12(10-17)15-7-9-19-21(15)2/h3-5,7,9-10,23H,6,8H2,1-2H3,(H,20,22)/t17-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293910
PNG
((S)-3-(5-Chloro-2- methylpyridin-3-yl)-1-(3- fluor...)
Show SMILES Cc1ncc(Cl)cc1C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C19H18ClFN2O2/c1-11-16(4-3-5-17(11)21)19(18(24)23-25)7-6-13(9-19)15-8-14(20)10-22-12(15)2/h3-5,8-10,25H,6-7H2,1-2H3,(H,23,24)/t19-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293890
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(6- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc(nc1)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C19H16F4N2O2/c1-11-14(3-2-4-15(11)20)18(17(26)25-27)8-7-12(9-18)13-5-6-16(24-10-13)19(21,22)23/h2-6,9-10,27H,7-8H2,1H3,(H,25,26)/t18-/m0/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293896
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(3- ...)
Show SMILES Cc1noc2ccc(cc12)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C21H19FN2O3/c1-12-17(4-3-5-18(12)22)21(20(25)23-26)9-8-15(11-21)14-6-7-19-16(10-14)13(2)24-27-19/h3-7,10-11,26H,8-9H2,1-2H3,(H,23,25)/t21-/m0/s1
PDB
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n/an/a 30n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293903
PNG
((S)-3-(Benzo[d]isothiazol- 7-yl)-1-(3-fluoro-2- me...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cccc2cnsc12)C(=O)NO
Show InChI InChI=1S/C20H17FN2O2S/c1-12-16(6-3-7-17(12)21)20(19(24)23-25)9-8-13(10-20)15-5-2-4-14-11-22-26-18(14)15/h2-7,10-11,25H,8-9H2,1H3,(H,23,24)/t20-/m0/s1
PDB
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293913
PNG
((S)-3-(1-(Difluoromethyl)- 1H-indazol-6-yl)-1-(3- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2cnn(C(F)F)c2c1)C(=O)NO
Show InChI InChI=1S/C21H18F3N3O2/c1-12-16(3-2-4-17(12)22)21(19(28)26-29)8-7-14(10-21)13-5-6-15-11-25-27(20(23)24)18(15)9-13/h2-6,9-11,20,29H,7-8H2,1H3,(H,26,28)/t21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293888
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(pyr...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncnc1)C(=O)NO
Show InChI InChI=1S/C17H16FN3O2/c1-11-14(3-2-4-15(11)18)17(16(22)21-23)6-5-12(7-17)13-8-19-10-20-9-13/h2-4,7-10,23H,5-6H2,1H3,(H,21,22)/t17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293891
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(5- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cncc(c1)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C19H16F4N2O2/c1-11-15(3-2-4-16(11)20)18(17(26)25-27)6-5-12(8-18)13-7-14(10-24-9-13)19(21,22)23/h2-4,7-10,27H,5-6H2,1H3,(H,25,26)/t18-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM316849
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...)
Show SMILES Cc1cnc(cn1)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C18H18FN3O2/c1-11-9-21-16(10-20-11)13-6-7-18(8-13,17(23)22-24)14-4-3-5-15(19)12(14)2/h3-5,8-10,24H,6-7H2,1-2H3,(H,22,23)/t18-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293893
PNG
((S)-3-(2-Cyclopropyl-5- fluoropyridin-3-yl)-1-(3- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cc(F)cnc1C1CC1)C(=O)NO
Show InChI InChI=1S/C21H20F2N2O2/c1-12-17(3-2-4-18(12)23)21(20(26)25-27)8-7-14(10-21)16-9-15(22)11-24-19(16)13-5-6-13/h2-4,9-11,13,27H,5-8H2,1H3,(H,25,26)/t21-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293906
PNG
((S)-3-Cyclopropyl-1-(3- fluoro-2-methylphenyl)- N-...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)C1CC1)C(=O)NO
Show InChI InChI=1S/C16H18FNO2/c1-10-13(3-2-4-14(10)17)16(15(19)18-20)8-7-12(9-16)11-5-6-11/h2-4,9,11,20H,5-8H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293887
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccnc(c1)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C19H16F4N2O2/c1-11-14(3-2-4-15(11)20)18(17(26)25-27)7-5-13(10-18)12-6-8-24-16(9-12)19(21,22)23/h2-4,6,8-10,27H,5,7H2,1H3,(H,25,26)/t18-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293889
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-3-(5- fluoropyrid...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc(F)cn1)C(=O)NO
Show InChI InChI=1S/C18H16F2N2O2/c1-11-14(3-2-4-15(11)20)18(17(23)22-24)8-7-12(9-18)16-6-5-13(19)10-21-16/h2-6,9-10,24H,7-8H2,1H3,(H,22,23)/t18-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293897
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-3-(5- fluoro-6-me...)
Show SMILES COc1ncc(cc1F)C1=C[C@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C19H18F2N2O3/c1-11-14(4-3-5-15(11)20)19(18(24)23-25)7-6-12(9-19)13-8-16(21)17(26-2)22-10-13/h3-5,8-10,25H,6-7H2,1-2H3,(H,23,24)/t19-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293894
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1ccc2nc(cnc2c1)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C22H17F4N3O2/c1-12-15(3-2-4-16(12)23)21(20(30)29-31)8-7-14(10-21)13-5-6-17-18(9-13)27-11-19(28-17)22(24,25)26/h2-6,9-11,31H,7-8H2,1H3,(H,29,30)/t21-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293907
PNG
((S)-N-Hydroxy-1,3- diphenylcyclopent-2- enecarboxa...)
Show SMILES ONC(=O)[C@]1(CCC(=C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H17NO2/c20-17(19-21)18(16-9-5-2-6-10-16)12-11-15(13-18)14-7-3-1-4-8-14/h1-10,13,21H,11-12H2,(H,19,20)/t18-/m0/s1
PDB
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n/an/a 190n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293877
PNG
((R)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(o- ...)
Show SMILES Cc1ccccc1C1=C[C@@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C20H20FNO2/c1-13-6-3-4-7-16(13)15-10-11-20(12-15,19(23)22-24)17-8-5-9-18(21)14(17)2/h3-9,12,24H,10-11H2,1-2H3,(H,22,23)/t20-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293909
PNG
((S)-3-(5-Fluoropyridin-3- yl)-N-hydroxy-1- phenylc...)
Show SMILES ONC(=O)[C@]1(CCC(=C1)c1cncc(F)c1)c1ccccc1
Show InChI InChI=1S/C17H15FN2O2/c18-15-8-13(10-19-11-15)12-6-7-17(9-12,16(21)20-22)14-4-2-1-3-5-14/h1-5,8-11,22H,6-7H2,(H,20,21)/t17-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293918
PNG
(3'-Fluoro-4-(5- fluoropyridin-3-yl)-N- hydroxy-2'-...)
Show SMILES Cc1c(F)cccc1C1(CCC(=CC1)c1cncc(F)c1)C(=O)NO
Show InChI InChI=1S/C19H18F2N2O2/c1-12-16(3-2-4-17(12)21)19(18(24)23-25)7-5-13(6-8-19)14-9-15(20)11-22-10-14/h2-5,9-11,25H,6-8H2,1H3,(H,23,24)
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n/an/a 490n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293919
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(qui...)
Show SMILES Cc1c(F)cccc1C1(CCC(=CC1)c1ccc2nccnc2c1)C(=O)NO
Show InChI InChI=1S/C22H20FN3O2/c1-14-17(3-2-4-18(14)23)22(21(27)26-28)9-7-15(8-10-22)16-5-6-19-20(13-16)25-12-11-24-19/h2-7,11-13,28H,8-10H2,1H3,(H,26,27)
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293879
PNG
((R)-1-(3-Fluoro-2- methylphenyl)-3-(5- fluoropyrid...)
Show SMILES Cc1c(F)cccc1[C@]1(CCC(=C1)c1cncc(F)c1)C(=O)NO
Show InChI InChI=1S/C18H16F2N2O2/c1-11-15(3-2-4-16(11)20)18(17(23)22-24)6-5-12(8-18)13-7-14(19)10-21-9-13/h2-4,7-10,24H,5-6H2,1H3,(H,22,23)/t18-/m1/s1
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CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293882
PNG
((S)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(pyr...)
Show SMILES Cc1c(F)cccc1[C@@]1(CCC(=C1)c1cnccn1)C(=O)NO
Show InChI InChI=1S/C17H16FN3O2/c1-11-13(3-2-4-14(11)18)17(16(22)21-23)6-5-12(9-17)15-10-19-7-8-20-15/h2-4,7-10,23H,5-6H2,1H3,(H,21,22)/t17-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293917
PNG
(4-(5-Fluoropyridin-3-yl)- N-hydroxy-1,2,3,6- tetra...)
Show SMILES ONC(=O)C1(CCC(=CC1)c1cncc(F)c1)c1ccccc1
Show InChI InChI=1S/C18H17FN2O2/c19-16-10-14(11-20-12-16)13-6-8-18(9-7-13,17(22)21-23)15-4-2-1-3-5-15/h1-6,10-12,23H,7-9H2,(H,21,22)
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n/an/a 3.60E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293875
PNG
((R)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3- phe...)
Show SMILES Cc1c(F)cccc1[C@]1(CCC(=C1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C19H18FNO2/c1-13-16(8-5-9-17(13)20)19(18(22)21-23)11-10-15(12-19)14-6-3-2-4-7-14/h2-9,12,23H,10-11H2,1H3,(H,21,22)/t19-/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293905
PNG
(1-(2-Fluorophenyl)-N- hydroxycyclopent-3- enecarbo...)
Show SMILES ONC(=O)C1(CC=CC1)c1ccccc1F
Show InChI InChI=1S/C12H12FNO2/c13-10-6-2-1-5-9(10)12(11(15)14-16)7-3-4-8-12/h1-6,16H,7-8H2,(H,14,15)
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n/an/a 8.30E+3n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM316869
PNG
(N-Hydroxy-1- phenylcyclopent-3- enecarboxamide | U...)
Show SMILES ONC(=O)C1(CC=CC1)c1ccccc1
Show InChI InChI=1S/C12H13NO2/c14-11(13-15)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-7,15H,8-9H2,(H,13,14)
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n/an/a 1.23E+4n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM316848
PNG
((R)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(2- ...)
Show SMILES Cc1cnc(cn1)C1=C[C@@](CC1)(C(=O)NO)c1cccc(F)c1C
Show InChI InChI=1S/C18H18FN3O2/c1-11-9-21-16(10-20-11)13-6-7-18(8-13,17(23)22-24)14-4-3-5-15(19)12(14)2/h3-5,8-10,24H,6-7H2,1-2H3,(H,22,23)/t18-/m1/s1
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.68E+4n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293908
PNG
((R)-N-Hydroxy-1,3- diphenylcyclopent-2- enecarboxa...)
Show SMILES ONC(=O)[C@@]1(CCC(=C1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H17NO2/c20-17(19-21)18(16-9-5-2-6-10-16)12-11-15(13-18)14-7-3-1-4-8-14/h1-10,13,21H,11-12H2,(H,19,20)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+4n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM293881
PNG
((R)-1-(3-Fluoro-2- methylphenyl)-N- hydroxy-3-(pyr...)
Show SMILES Cc1c(F)cccc1[C@]1(CCC(=C1)c1cnccn1)C(=O)NO
Show InChI InChI=1S/C17H16FN3O2/c1-11-13(3-2-4-14(11)18)17(16(22)21-23)6-5-12(9-17)15-10-19-7-8-20-15/h2-4,7-10,23H,5-6H2,1H3,(H,21,22)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



CHDI Foundation, Inc.

US Patent


Assay Description
2 μl (200) of each diluted solution and each control (full activity: 100% DMSO alone or full inhibition 1 mM) is stamped into V-bottomed polypr...


US Patent US9617259 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%