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Patent code US10011611

Compile Data Set for Download or QSAR
Found 44 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 6


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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US Patent
n/an/a 0.958n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 1.05n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 10.3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 9 (aa 604-1066)


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 12.9n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 17.7n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 20.7n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 23.9n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 27.1n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
HDAC3/NCOR2


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 29.9n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 30n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7) (aa 518-592)


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 32.4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 65.7n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 175n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4) (627-1085)


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a 213n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(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 293n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
HDAC3/NCOR2


(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 435n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 472n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 5


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 508n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(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 597n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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US Patent
n/an/a 604n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(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 683n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 1.13E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HDAC3/NCOR2


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 1.31E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 9 (aa 604-1066)


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 1.41E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7) (aa 518-592)


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 1.89E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 2.84E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4) (627-1085)


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 3.31E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 3.53E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 4.26E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7) (aa 518-592)


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 4.29E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM402284
PNG
((N-hydroxy-4-((3-oxoisothiazolo[5,4-b]pyridin-2(3H...)
Show SMILES ONC(=O)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-12(16-20)10-5-3-9(4-6-10)8-17-14(19)11-2-1-7-15-13(11)21-17/h1-7,20H,8H2,(H,16,18)
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n/an/a 5.40E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4) (627-1085)


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 5.78E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 9 (aa 604-1066)


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/s2
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n/an/a 6.93E+3n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 9 (aa 604-1066)


(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>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7) (aa 518-592)


(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>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
HDAC3/NCOR2


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50446481
PNG
(CHEMBL3110004 | US10011611, TMP269)
Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(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 1.22E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

US Patent


Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

More data for this
Ligand-Target Pair
Histone deacetylase 4 (HDAC4) (627-1085)


(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 2.74E+4n/an/an/an/an/an/a



REACTION BIOLOGY CORP.

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Assay Description
I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ...


US Patent US10011611 (2018)

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