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Patent code US10188756

Compile Data Set for Download or QSAR
Found 189 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 1


(Homo sapiens (human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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n/an/a 0.200n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323720
PNG
(US10188756, Compound CN166)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)c(F)c1
Show InChI InChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323708
PNG
(US10188756, Compound CN132)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323708
PNG
(US10188756, Compound CN132)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323720
PNG
(US10188756, Compound CN166)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)c(F)c1
Show InChI InChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323708
PNG
(US10188756, Compound CN132)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323712
PNG
(US10188756, Compound CN143)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a 1.90n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

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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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323719
PNG
(US10188756, Compound CN165)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C20H25N3O4/c1-3-4-13-23(14-15-9-11-16(12-10-15)19(24)22-26)20(25)21-17-7-5-6-8-18(17)27-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,24)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(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 3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

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 4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 2


(Homo sapiens (human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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n/an/a 4.10n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 4.30n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323712
PNG
(US10188756, Compound CN143)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a 4.70n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323721
PNG
(US10188756, Compound CN167)
Show SMILES CN(CC1CCCCC1)Cc1ccc(\C=C\C(=O)NO)cc1F
Show InChI InChI=1S/C18H25FN2O2/c1-21(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17(16)19)8-10-18(22)20-23/h7-11,15,23H,2-6,12-13H2,1H3,(H,20,22)/b10-8+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323721
PNG
(US10188756, Compound CN167)
Show SMILES CN(CC1CCCCC1)Cc1ccc(\C=C\C(=O)NO)cc1F
Show InChI InChI=1S/C18H25FN2O2/c1-21(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17(16)19)8-10-18(22)20-23/h7-11,15,23H,2-6,12-13H2,1H3,(H,20,22)/b10-8+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323696
PNG
(US10188756, Compound CN53)
Show SMILES CNc1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-16-13-9-7-12(8-10-13)15(20)17-11-5-3-2-4-6-14(19)18-21/h7-10,16,21H,2-6,11H2,1H3,(H,17,20)(H,18,19)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323696
PNG
(US10188756, Compound CN53)
Show SMILES CNc1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-16-13-9-7-12(8-10-13)15(20)17-11-5-3-2-4-6-14(19)18-21/h7-10,16,21H,2-6,11H2,1H3,(H,17,20)(H,18,19)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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n/an/a 7n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323697
PNG
(US10188756, Compound CN54)
Show SMILES ONC(=O)c1ccc(cc1)C1=Nc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H14N2O3/c23-20(22-24)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)21-19/h1-12,24H,(H,22,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 7.30n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323708
PNG
(US10188756, Compound CN132)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a 8.40n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323712
PNG
(US10188756, Compound CN143)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+
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n/an/a 9.70n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

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 11n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (human))
BDBM323720
PNG
(US10188756, Compound CN166)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)c(F)c1
Show InChI InChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+
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n/an/a 11.7n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323696
PNG
(US10188756, Compound CN53)
Show SMILES CNc1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C15H23N3O3/c1-16-13-9-7-12(8-10-13)15(20)17-11-5-3-2-4-6-14(19)18-21/h7-10,16,21H,2-6,11H2,1H3,(H,17,20)(H,18,19)
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n/an/a 11.9n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323720
PNG
(US10188756, Compound CN166)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)c(F)c1
Show InChI InChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323711
PNG
(US10188756, Compound CN141)
Show SMILES CN(Cc1ccc2C=C(CCc2c1)C(=O)NO)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O2/c1-26(15-24-11-17-6-18(12-24)8-19(7-17)13-24)14-16-2-3-21-10-22(23(27)25-28)5-4-20(21)9-16/h2-3,9-10,17-19,28H,4-8,11-15H2,1H3,(H,25,27)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323710
PNG
(US10188756, Compound CN139)
Show SMILES ONC(=O)\C=C\c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C20H26N2O2/c23-19(22-24)5-4-14-2-1-3-15(6-14)13-21-20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b5-4+
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n/an/a 16.5n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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n/an/a 17.8n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a 18n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 18.3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323721
PNG
(US10188756, Compound CN167)
Show SMILES CN(CC1CCCCC1)Cc1ccc(\C=C\C(=O)NO)cc1F
Show InChI InChI=1S/C18H25FN2O2/c1-21(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17(16)19)8-10-18(22)20-23/h7-11,15,23H,2-6,12-13H2,1H3,(H,20,22)/b10-8+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 20.7n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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n/an/a 21.7n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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n/an/a 23.2n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323710
PNG
(US10188756, Compound CN139)
Show SMILES ONC(=O)\C=C\c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C20H26N2O2/c23-19(22-24)5-4-14-2-1-3-15(6-14)13-21-20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b5-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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n/an/a 32n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323710
PNG
(US10188756, Compound CN139)
Show SMILES ONC(=O)\C=C\c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C20H26N2O2/c23-19(22-24)5-4-14-2-1-3-15(6-14)13-21-20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b5-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323721
PNG
(US10188756, Compound CN167)
Show SMILES CN(CC1CCCCC1)Cc1ccc(\C=C\C(=O)NO)cc1F
Show InChI InChI=1S/C18H25FN2O2/c1-21(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17(16)19)8-10-18(22)20-23/h7-11,15,23H,2-6,12-13H2,1H3,(H,20,22)/b10-8+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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n/an/a 52.9n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323697
PNG
(US10188756, Compound CN54)
Show SMILES ONC(=O)c1ccc(cc1)C1=Nc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H14N2O3/c23-20(22-24)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)21-19/h1-12,24H,(H,22,23)
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n/an/a 53.7n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323711
PNG
(US10188756, Compound CN141)
Show SMILES CN(Cc1ccc2C=C(CCc2c1)C(=O)NO)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O2/c1-26(15-24-11-17-6-18(12-24)8-19(7-17)13-24)14-16-2-3-21-10-22(23(27)25-28)5-4-20(21)9-16/h2-3,9-10,17-19,28H,4-8,11-15H2,1H3,(H,25,27)
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n/an/a 55.8n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323697
PNG
(US10188756, Compound CN54)
Show SMILES ONC(=O)c1ccc(cc1)C1=Nc2ccccc2Oc2ccccc12
Show InChI InChI=1S/C20H14N2O3/c23-20(22-24)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)21-19/h1-12,24H,(H,22,23)
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n/an/a 56.1n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323681
PNG
(US10188756, Compound CN51)
Show SMILES CNc1ccc(cc1)C(=O)NCCCCC(=O)NO
Show InChI InChI=1S/C13H19N3O3/c1-14-11-7-5-10(6-8-11)13(18)15-9-3-2-4-12(17)16-19/h5-8,14,19H,2-4,9H2,1H3,(H,15,18)(H,16,17)
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n/an/a 84.5n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323719
PNG
(US10188756, Compound CN165)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C20H25N3O4/c1-3-4-13-23(14-15-9-11-16(12-10-15)19(24)22-26)20(25)21-17-7-5-6-8-18(17)27-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,24)
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n/an/a 96.7n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323698
PNG
(US10188756, Compound CN56)
Show SMILES CN(C)CCOc1ccc2Oc3ccccc3N=C(c3ccc(cc3)C(=O)NO)c2c1
Show InChI InChI=1S/C24H23N3O4/c1-27(2)13-14-30-18-11-12-21-19(15-18)23(25-20-5-3-4-6-22(20)31-21)16-7-9-17(10-8-16)24(28)26-29/h3-12,15,29H,13-14H2,1-2H3,(H,26,28)
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n/an/a 97.8n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323711
PNG
(US10188756, Compound CN141)
Show SMILES CN(Cc1ccc2C=C(CCc2c1)C(=O)NO)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O2/c1-26(15-24-11-17-6-18(12-24)8-19(7-17)13-24)14-16-2-3-21-10-22(23(27)25-28)5-4-20(21)9-16/h2-3,9-10,17-19,28H,4-8,11-15H2,1H3,(H,25,27)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323681
PNG
(US10188756, Compound CN51)
Show SMILES CNc1ccc(cc1)C(=O)NCCCCC(=O)NO
Show InChI InChI=1S/C13H19N3O3/c1-14-11-7-5-10(6-8-11)13(18)15-9-3-2-4-12(17)16-19/h5-8,14,19H,2-4,9H2,1H3,(H,15,18)(H,16,17)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323719
PNG
(US10188756, Compound CN165)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C20H25N3O4/c1-3-4-13-23(14-15-9-11-16(12-10-15)19(24)22-26)20(25)21-17-7-5-6-8-18(17)27-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,24)
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n/an/a 143n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323698
PNG
(US10188756, Compound CN56)
Show SMILES CN(C)CCOc1ccc2Oc3ccccc3N=C(c3ccc(cc3)C(=O)NO)c2c1
Show InChI InChI=1S/C24H23N3O4/c1-27(2)13-14-30-18-11-12-21-19(15-18)23(25-20-5-3-4-6-22(20)31-21)16-7-9-17(10-8-16)24(28)26-29/h3-12,15,29H,13-14H2,1-2H3,(H,26,28)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323712
PNG
(US10188756, Compound CN143)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323711
PNG
(US10188756, Compound CN141)
Show SMILES CN(Cc1ccc2C=C(CCc2c1)C(=O)NO)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O2/c1-26(15-24-11-17-6-18(12-24)8-19(7-17)13-24)14-16-2-3-21-10-22(23(27)25-28)5-4-20(21)9-16/h2-3,9-10,17-19,28H,4-8,11-15H2,1H3,(H,25,27)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323716
PNG
(US10188756, Compound CN146)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-7-8-26(15-18-3-1-17(2-4-18)5-6-22(27)25-28)16-23-12-19-9-20(13-23)11-21(10-19)14-23/h1-6,19-21,28H,7-16H2,(H,25,27)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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n/an/a 238n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323710
PNG
(US10188756, Compound CN139)
Show SMILES ONC(=O)\C=C\c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C20H26N2O2/c23-19(22-24)5-4-14-2-1-3-15(6-14)13-21-20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b5-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323698
PNG
(US10188756, Compound CN56)
Show SMILES CN(C)CCOc1ccc2Oc3ccccc3N=C(c3ccc(cc3)C(=O)NO)c2c1
Show InChI InChI=1S/C24H23N3O4/c1-27(2)13-14-30-18-11-12-21-19(15-18)23(25-20-5-3-4-6-22(20)31-21)16-7-9-17(10-8-16)24(28)26-29/h3-12,15,29H,13-14H2,1-2H3,(H,26,28)
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n/an/a 270n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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n/an/a 301n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323719
PNG
(US10188756, Compound CN165)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C20H25N3O4/c1-3-4-13-23(14-15-9-11-16(12-10-15)19(24)22-26)20(25)21-17-7-5-6-8-18(17)27-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,24)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323716
PNG
(US10188756, Compound CN146)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-7-8-26(15-18-3-1-17(2-4-18)5-6-22(27)25-28)16-23-12-19-9-20(13-23)11-21(10-19)14-23/h1-6,19-21,28H,7-16H2,(H,25,27)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323711
PNG
(US10188756, Compound CN141)
Show SMILES CN(Cc1ccc2C=C(CCc2c1)C(=O)NO)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O2/c1-26(15-24-11-17-6-18(12-24)8-19(7-17)13-24)14-16-2-3-21-10-22(23(27)25-28)5-4-20(21)9-16/h2-3,9-10,17-19,28H,4-8,11-15H2,1H3,(H,25,27)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323716
PNG
(US10188756, Compound CN146)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-7-8-26(15-18-3-1-17(2-4-18)5-6-22(27)25-28)16-23-12-19-9-20(13-23)11-21(10-19)14-23/h1-6,19-21,28H,7-16H2,(H,25,27)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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n/an/a 470n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM323681
PNG
(US10188756, Compound CN51)
Show SMILES CNc1ccc(cc1)C(=O)NCCCCC(=O)NO
Show InChI InChI=1S/C13H19N3O3/c1-14-11-7-5-10(6-8-11)13(18)15-9-3-2-4-12(17)16-19/h5-8,14,19H,2-4,9H2,1H3,(H,15,18)(H,16,17)
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n/an/a 477n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323719
PNG
(US10188756, Compound CN165)
Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C20H25N3O4/c1-3-4-13-23(14-15-9-11-16(12-10-15)19(24)22-26)20(25)21-17-7-5-6-8-18(17)27-2/h5-12,26H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,24)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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n/an/a 655n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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n/an/a 725n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323720
PNG
(US10188756, Compound CN166)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)c(F)c1
Show InChI InChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323712
PNG
(US10188756, Compound CN143)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+
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n/an/a 927n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

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 1.02E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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n/an/a 1.04E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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n/an/a 1.47E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 1.74E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323721
PNG
(US10188756, Compound CN167)
Show SMILES CN(CC1CCCCC1)Cc1ccc(\C=C\C(=O)NO)cc1F
Show InChI InChI=1S/C18H25FN2O2/c1-21(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17(16)19)8-10-18(22)20-23/h7-11,15,23H,2-6,12-13H2,1H3,(H,20,22)/b10-8+
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n/an/a 1.81E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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n/an/a 1.97E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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n/an/a 2.02E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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n/an/a 2.04E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323710
PNG
(US10188756, Compound CN139)
Show SMILES ONC(=O)\C=C\c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C20H26N2O2/c23-19(22-24)5-4-14-2-1-3-15(6-14)13-21-20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b5-4+
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n/an/a 2.23E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a 2.37E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323711
PNG
(US10188756, Compound CN141)
Show SMILES CN(Cc1ccc2C=C(CCc2c1)C(=O)NO)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O2/c1-26(15-24-11-17-6-18(12-24)8-19(7-17)13-24)14-16-2-3-21-10-22(23(27)25-28)5-4-20(21)9-16/h2-3,9-10,17-19,28H,4-8,11-15H2,1H3,(H,25,27)
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n/an/a 2.40E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323710
PNG
(US10188756, Compound CN139)
Show SMILES ONC(=O)\C=C\c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C20H26N2O2/c23-19(22-24)5-4-14-2-1-3-15(6-14)13-21-20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b5-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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n/an/a 2.57E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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n/an/a 2.84E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323704
PNG
(US10188756, Compound CN107)
Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323716
PNG
(US10188756, Compound CN146)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-7-8-26(15-18-3-1-17(2-4-18)5-6-22(27)25-28)16-23-12-19-9-20(13-23)11-21(10-19)14-23/h1-6,19-21,28H,7-16H2,(H,25,27)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323711
PNG
(US10188756, Compound CN141)
Show SMILES CN(Cc1ccc2C=C(CCc2c1)C(=O)NO)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O2/c1-26(15-24-11-17-6-18(12-24)8-19(7-17)13-24)14-16-2-3-21-10-22(23(27)25-28)5-4-20(21)9-16/h2-3,9-10,17-19,28H,4-8,11-15H2,1H3,(H,25,27)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM323713
PNG
(US10188756, Compound CN145)
Show SMILES CN(C)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C12H16N2O2/c1-14(2)9-11-5-3-10(4-6-11)7-8-12(15)13-16/h3-8,16H,9H2,1-2H3,(H,13,15)/b8-7+
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n/an/a 6.82E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 7.39E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

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 8.75E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM323713
PNG
(US10188756, Compound CN145)
Show SMILES CN(C)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C12H16N2O2/c1-14(2)9-11-5-3-10(4-6-11)7-8-12(15)13-16/h3-8,16H,9H2,1-2H3,(H,13,15)/b8-7+
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n/an/a 9.24E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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n/an/a 9.45E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323712
PNG
(US10188756, Compound CN143)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+
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n/an/a 9.60E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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n/an/a 9.65E+3n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323716
PNG
(US10188756, Compound CN146)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-7-8-26(15-18-3-1-17(2-4-18)5-6-22(27)25-28)16-23-12-19-9-20(13-23)11-21(10-19)14-23/h1-6,19-21,28H,7-16H2,(H,25,27)/b6-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323701
PNG
(US10188756, Compound CN88)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C16H16N2O4S/c1-18(14-7-3-2-4-8-14)23(21,22)15-9-5-6-13(12-15)10-11-16(19)17-20/h2-12,20H,1H3,(H,17,19)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323708
PNG
(US10188756, Compound CN132)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323708
PNG
(US10188756, Compound CN132)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323711
PNG
(US10188756, Compound CN141)
Show SMILES CN(Cc1ccc2C=C(CCc2c1)C(=O)NO)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C24H32N2O2/c1-26(15-24-11-17-6-18(12-24)8-19(7-17)13-24)14-16-2-3-21-10-22(23(27)25-28)5-4-20(21)9-16/h2-3,9-10,17-19,28H,4-8,11-15H2,1H3,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323712
PNG
(US10188756, Compound CN143)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323710
PNG
(US10188756, Compound CN139)
Show SMILES ONC(=O)\C=C\c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C20H26N2O2/c23-19(22-24)5-4-14-2-1-3-15(6-14)13-21-20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b5-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323709
PNG
(US10188756, Compound CN133)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H30N2O2/c1-24(14-17-4-2-16(3-5-17)6-7-21(25)23-26)15-22-11-18-8-19(12-22)10-20(9-18)13-22/h2-7,18-20,26H,8-15H2,1H3,(H,23,25)/b7-6+
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n/an/a>2.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323707
PNG
(US10188756, Compound CN113)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCCC(=O)NO)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C20H22N2O6S/c1-28-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)29(17,26)27/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323712
PNG
(US10188756, Compound CN143)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC2CCCCC2)cc1
Show InChI InChI=1S/C17H24N2O2/c20-17(19-21)11-10-14-6-8-16(9-7-14)13-18-12-15-4-2-1-3-5-15/h6-11,15,18,21H,1-5,12-13H2,(H,19,20)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323708
PNG
(US10188756, Compound CN132)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C21H28N2O2/c24-20(23-25)6-5-15-1-3-16(4-2-15)13-22-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,17-19,22,25H,7-14H2,(H,23,24)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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n/an/a>2.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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n/an/a 2.03E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(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>3.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323716
PNG
(US10188756, Compound CN146)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-7-8-26(15-18-3-1-17(2-4-18)5-6-22(27)25-28)16-23-12-19-9-20(13-23)11-21(10-19)14-23/h1-6,19-21,28H,7-16H2,(H,25,27)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(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>3.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

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


(Homo sapiens (human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(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>3.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323716
PNG
(US10188756, Compound CN146)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-7-8-26(15-18-3-1-17(2-4-18)5-6-22(27)25-28)16-23-12-19-9-20(13-23)11-21(10-19)14-23/h1-6,19-21,28H,7-16H2,(H,25,27)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323702
PNG
(US10188756, Compound CN89)
Show SMILES CN(CCc1ccccc1)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
Show InChI InChI=1S/C18H20N2O4S/c1-20(13-12-15-6-3-2-4-7-15)25(23,24)17-9-5-8-16(14-17)10-11-18(21)19-22/h2-11,14,22H,12-13H2,1H3,(H,19,21)/b11-10+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a>4.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323716
PNG
(US10188756, Compound CN146)
Show SMILES ONC(=O)\C=C\c1ccc(CN(CCF)CC23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C23H31FN2O2/c24-7-8-26(15-18-3-1-17(2-4-18)5-6-22(27)25-28)16-23-12-19-9-20(13-23)11-21(10-19)14-23/h1-6,19-21,28H,7-16H2,(H,25,27)/b6-5+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323710
PNG
(US10188756, Compound CN139)
Show SMILES ONC(=O)\C=C\c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1
Show InChI InChI=1S/C20H26N2O2/c23-19(22-24)5-4-14-2-1-3-15(6-14)13-21-20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18,21,24H,7-13H2,(H,22,23)/b5-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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n/an/a>5.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM323713
PNG
(US10188756, Compound CN145)
Show SMILES CN(C)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C12H16N2O2/c1-14(2)9-11-5-3-10(4-6-11)7-8-12(15)13-16/h3-8,16H,9H2,1-2H3,(H,13,15)/b8-7+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50015088
PNG
((E)-N-Hydroxy-3-phenyl-acrylamide | (E)-N-Hydroxy-...)
Show SMILES ONC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C9H9NO2/c11-9(10-12)7-6-8-4-2-1-3-5-8/h1-7,12H,(H,10,11)/b7-6+
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n/an/a>5.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50353238
PNG
(CHEMBL1830399 | US10188756, Compound CN101)
Show SMILES CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
Show InChI InChI=1S/C18H26N4O2/c1-4-5-6-17-19-15-13-14(8-10-18(23)20-24)7-9-16(15)22(17)12-11-21(2)3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,20,23)/b10-8+
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n/an/a>5.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323718
PNG
(US10188756, Compound CN149)
Show SMILES CN(Cc1ccc(\C=C\C(=O)NO)cc1F)CC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H29FN2O2/c1-25(14-22-10-16-6-17(11-22)8-18(7-16)12-22)13-19-4-2-15(9-20(19)23)3-5-21(26)24-27/h2-5,9,16-18,27H,6-8,10-14H2,1H3,(H,24,26)/b5-3+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM323706
PNG
(US10188756, Compound CN112)
Show SMILES COc1ccc2Sc3ccccc3N(CCCCCC(=O)NO)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-26-14-10-11-17-15(13-14)20(24)22(12-6-2-3-9-19(23)21-25)16-7-4-5-8-18(16)27-17/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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n/an/a>7.00E+4n/an/an/an/an/an/a



The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM23269
PNG
((2E)-N-hydroxy-3-(4-methoxyphenyl)prop-2-enamide |...)
Show SMILES COc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C10H11NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-7,13H,1H3,(H,11,12)/b7-4+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM323713
PNG
(US10188756, Compound CN145)
Show SMILES CN(C)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C12H16N2O2/c1-14(2)9-11-5-3-10(4-6-11)7-8-12(15)13-16/h3-8,16H,9H2,1-2H3,(H,13,15)/b8-7+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM323717
PNG
(US10188756, Compound CN148)
Show SMILES ONC(=O)\C=C\c1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(F)c1
Show InChI InChI=1S/C21H27FN2O2/c22-19-8-14(2-4-20(25)24-26)1-3-18(19)12-23-13-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,8,15-17,23,26H,5-7,9-13H2,(H,24,25)/b4-2+
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The General Hospital Corporation

US Patent


Assay Description
All histone deacetylases were purchased from BPS Bioscience. The substrates, Broad Substrate A, and Broad Substrate B, were synthesized and are now a...


US Patent US10188756 (2019)

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