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Patent code US9790158

Compile Data Set for Download or QSAR
Found 24 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 8


(Homo sapiens (Human))
BDBM347454
PNG
(MO-OH-TM | US9790158, 5)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc(O)c1=O
Show InChI InChI=1S/C16H16O5/c1-19-13-9-8-11(15(20-2)16(13)21-3)10-6-4-5-7-12(17)14(10)18/h4-9H,1-3H3,(H,17,18)
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US Patent
0.0400n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347330
PNG
(MO-OH-PHE | US9790158, 1)
Show SMILES Oc1ccccc(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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US Patent
0.0800n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347452
PNG
(MO-OH-SM | US9790158, 3)
Show SMILES COc1ccc(cc1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)
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0.140n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347330
PNG
(MO-OH-PHE | US9790158, 1)
Show SMILES Oc1ccccc(-c2ccccc2)c1=O
Show InChI InChI=1S/C13H10O2/c14-12-9-5-4-8-11(13(12)15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
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0.170n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347453
PNG
(MO-OH-DM | US9790158, 4)
Show SMILES COc1ccc(OC)c(c1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C15H14O4/c1-18-10-7-8-14(19-2)12(9-10)11-5-3-4-6-13(16)15(11)17/h3-9H,1-2H3,(H,16,17)
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0.440n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347451
PNG
(MO-OH-NAP | US9790158, 2)
Show SMILES Oc1ccccc(-c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C17H12O2/c18-16-8-4-3-7-15(17(16)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,18,19)
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0.540n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347456
PNG
(US9790158, 7)
Show SMILES COc1cccc(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C14H12O3/c1-17-12-6-2-4-10(8-12)11-5-3-7-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)
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1.36n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347457
PNG
(US9790158, 8)
Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
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1.42n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347456
PNG
(US9790158, 7)
Show SMILES COc1cccc(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C14H12O3/c1-17-12-6-2-4-10(8-12)11-5-3-7-13(15)14(16)9-11/h2-9H,1H3,(H,15,16)
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1.70n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM348884
PNG
(US9790158, 10)
Show SMILES CC(C)(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)
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2.69n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347452
PNG
(MO-OH-SM | US9790158, 3)
Show SMILES COc1ccc(cc1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C14H12O3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(15)14(12)16/h2-9H,1H3,(H,15,16)
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2.74n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM79632
PNG
(2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...)
Show SMILES CC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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3.32n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347461
PNG
(US9790158, 12)
Show SMILES Oc1cccc(cc1=O)C1CCCC1
Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
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6.64n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347451
PNG
(MO-OH-NAP | US9790158, 2)
Show SMILES Oc1ccccc(-c2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C17H12O2/c18-16-8-4-3-7-15(17(16)19)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,18,19)
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7.63n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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10.1n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM348883
PNG
(US9790158, 6)
Show SMILES Oc1cc(cccc1=O)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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19.4n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM347461
PNG
(US9790158, 12)
Show SMILES Oc1cccc(cc1=O)C1CCCC1
Show InChI InChI=1S/C12H14O2/c13-11-7-3-6-10(8-12(11)14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,13,14)
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23.3n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347454
PNG
(MO-OH-TM | US9790158, 5)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc(O)c1=O
Show InChI InChI=1S/C16H16O5/c1-19-13-9-8-11(15(20-2)16(13)21-3)10-6-4-5-7-12(17)14(10)18/h4-9H,1-3H3,(H,17,18)
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59n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM348883
PNG
(US9790158, 6)
Show SMILES Oc1cc(cccc1=O)-c1ccccc1
Show InChI InChI=1S/C13H10O2/c14-12-8-4-7-11(9-13(12)15)10-5-2-1-3-6-10/h1-9H,(H,14,15)
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72.8n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347460
PNG
(US9790158, 11)
Show SMILES CCC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-3-8(2)9-5-4-6-10(12)11(13)7-9/h4-8H,3H2,1-2H3,(H,12,13)
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94.5n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM79632
PNG
(2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one...)
Show SMILES CC(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
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105n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347453
PNG
(MO-OH-DM | US9790158, 4)
Show SMILES COc1ccc(OC)c(c1)-c1ccccc(O)c1=O
Show InChI InChI=1S/C15H14O4/c1-18-10-7-8-14(19-2)12(9-10)11-5-3-4-6-13(16)15(11)17/h3-9H,1-2H3,(H,16,17)
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184n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM348884
PNG
(US9790158, 10)
Show SMILES CC(C)(C)c1cccc(O)c(=O)c1
Show InChI InChI=1S/C11H14O2/c1-11(2,3)8-5-4-6-9(12)10(13)7-8/h4-7H,1-3H3,(H,12,13)
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489n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM347457
PNG
(US9790158, 8)
Show SMILES COc1ccc(OC)c(c1)-c1cccc(O)c(=O)c1
Show InChI InChI=1S/C15H14O4/c1-18-11-6-7-15(19-2)12(9-11)10-4-3-5-13(16)14(17)8-10/h3-9H,1-2H3,(H,16,17)
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541n/an/an/an/an/an/an/an/a



UNIVERSITY OF CONNECTICUT

US Patent


Assay Description
Key enzyme kinetic parameters for one class I HDAC (HDAC8) and one class Ha HDAC (HDAC4) were determined using commercially available human recombina...


US Patent US9790158 (2017)

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