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Patent code US9249087

Compile Data Set for Download or QSAR
Found 156 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


(Homo sapiens (human))
BDBM218187
PNG
(US9249087, 30)
Show SMILES CS(=O)(=O)NCCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C19H21N3O4S/c1-27(25,26)20-11-10-16-13-22(18-5-3-2-4-17(16)18)12-14-6-8-15(9-7-14)19(23)21-24/h2-9,13,20,24H,10-12H2,1H3,(H,21,23)
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n/an/a 0.170n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218178
PNG
(US9249087, 21)
Show SMILES Cc1c(CN)c2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H19N3O2/c1-12-16(10-19)15-4-2-3-5-17(15)21(12)11-13-6-8-14(9-7-13)18(22)20-23/h2-9,23H,10-11,19H2,1H3,(H,20,22)
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n/an/a 1.46n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218227
PNG
(US9249087, Table 1 , Compound 4)
Show SMILES Cc1c(CN)c2ccccc2c1-c1ccc(cc1)C(=O)NO
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n/an/a 1.46n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218225
PNG
(US9249087, Table 1 , Compound 2)
Show SMILES Cc1cc2ccccc2c1-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H14NO2/c1-11-10-14-4-2-3-5-15(14)16(11)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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n/an/a 2.51n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218230
PNG
(US9249087, Table 1 , Compound 7)
Show SMILES CN1CCN(CCc2cc(-c3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H26N3O2/c1-25-12-14-26(15-13-25)11-10-19-16-22(21-5-3-2-4-20(19)21)17-6-8-18(9-7-17)23(27)24-28/h2-9,16,28H,10-15H2,1H3,(H,24,27)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218174
PNG
(US9249087, 17)
Show SMILES CN1CCN(CCc2cn(CC3=CCC(C=C3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H30N4O2/c1-25-12-14-26(15-13-25)11-10-20-17-27(22-5-3-2-4-21(20)22)16-18-6-8-19(9-7-18)23(28)24-29/h2-8,17,19,29H,9-16H2,1H3,(H,24,28)
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n/an/a 2.94n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218231
PNG
(US9249087, Table 1 , Compound 8)
Show SMILES ONC(=O)c1ccc(cc1)-c1cnc2cncnc12
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n/an/a 3.48n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218169
PNG
(US9249087, 12)
Show SMILES ONC(=O)c1ccc(Cn2cnc3cncnc23)cc1
Show InChI InChI=1S/C13H11N5O2/c19-13(17-20)10-3-1-9(2-4-10)6-18-8-16-11-5-14-7-15-12(11)18/h1-5,7-8,20H,6H2,(H,17,19)
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n/an/a 3.48n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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US Patent
n/an/a 4n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218165
PNG
(US9249087, 8)
Show SMILES Cc1c(C)c2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H18N2O2/c1-12-13(2)20(17-6-4-3-5-16(12)17)11-14-7-9-15(10-8-14)18(21)19-22/h3-10,22H,11H2,1-2H3,(H,19,21)
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n/an/a 4.08n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218226
PNG
(US9249087, Table 1 , Compound 3)
Show SMILES Cc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H14NO2/c1-11-10-16(15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218163
PNG
(US9249087, 6)
Show SMILES Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218189
PNG
(US9249087, 32)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C16H15N3O2/c1-11-17-14-4-2-3-5-15(14)19(11)10-12-6-8-13(9-7-12)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20)
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n/an/a 9.20n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218224
PNG
(US9249087, Table 1 , Compound 1)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccc2ccccc12
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n/an/a 9.75n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218159
PNG
(US9249087, 2)
Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218202
PNG
(US9249087, 43)
Show SMILES ONC(=O)c1ccc(Cn2cccn2)cc1
Show InChI InChI=1S/C11H11N3O2/c15-11(13-16)10-4-2-9(3-5-10)8-14-7-1-6-12-14/h1-7,16H,8H2,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218236
PNG
(US9249087, Table 1 , Compound 13)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccc[nH]1
Show InChI InChI=1S/C11H10N2O2/c14-11(13-15)9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7,12,15H,(H,13,14)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218234
PNG
(US9249087, Table 1 , Compound 11)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C15H16N2O2/c1-17(2)14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(18)16-19/h3-10,19H,1-2H3,(H,16,18)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218206
PNG
(US9249087, 47)
Show SMILES CN(C)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H18N2O2/c1-18(2)15-9-5-13(6-10-15)11-12-3-7-14(8-4-12)16(19)17-20/h3-10,20H,11H2,1-2H3,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218176
PNG
(US9249087, 19)
Show SMILES CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24)
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n/an/a 12.5n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218229
PNG
(US9249087, Table 1 , Compound 6)
Show SMILES CN(C)CCc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C20H21N2O2/c1-22(2)12-11-16-13-19(18-6-4-3-5-17(16)18)14-7-9-15(10-8-14)20(23)21-24/h3-10,13,24H,11-12H2,1-2H3,(H,21,23)
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n/an/a 12.5n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218232
PNG
(US9249087, Table 1 , Compound 9)
Show SMILES ONC(=O)c1ccc(cc1)-c1cnc2ncncc12
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n/an/a 14.2n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218171
PNG
(US9249087, 14)
Show SMILES ONC(=O)c1ccc(Cn2cnc3ncncc23)cc1
Show InChI InChI=1S/C13H11N5O2/c19-13(17-20)10-3-1-9(2-4-10)6-18-8-16-12-11(18)5-14-7-15-12/h1-5,7-8,20H,6H2,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218228
PNG
(US9249087, Table 1 , Compound 5)
Show SMILES ONC(=O)c1ccc(cc1)-c1cc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H18NO2/c25-23(24-26)18-12-10-17(11-13-18)22-15-19(14-16-6-2-1-3-7-16)20-8-4-5-9-21(20)22/h1-13,15,26H,14H2,(H,24,25)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218167
PNG
(US9249087, 10)
Show SMILES ONC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20N2O2/c26-23(24-27)19-12-10-18(11-13-19)15-25-16-20(14-17-6-2-1-3-7-17)21-8-4-5-9-22(21)25/h1-13,16,27H,14-15H2,(H,24,26)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218184
PNG
(US9249087, 27)
Show SMILES ONC(=O)c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C15H13N3O2/c19-15(17-20)12-7-5-11(6-8-12)9-18-10-16-13-3-1-2-4-14(13)18/h1-8,10,20H,9H2,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218235
PNG
(US9249087, Table 1 , Compound 12)
Show SMILES ONC(=O)c1ccc(cc1)-c1cccc1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218200
PNG
(US9249087, 41)
Show SMILES ONC(=O)c1ccc(Cn2cccc2)cc1
Show InChI InChI=1S/C12H12N2O2/c15-12(13-16)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h1-8,16H,9H2,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218167
PNG
(US9249087, 10)
Show SMILES ONC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20N2O2/c26-23(24-27)19-12-10-18(11-13-19)15-25-16-20(14-17-6-2-1-3-7-17)21-8-4-5-9-22(21)25/h1-13,16,27H,14-15H2,(H,24,26)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218204
PNG
(US9249087, 45)
Show SMILES ONC(=O)c1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(15-17)12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8,17H,9H2,(H,15,16)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218233
PNG
(US9249087, Table 1 , Compound 10)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C12H10N2O2/c15-12(14-16)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8,16H,(H,14,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218196
PNG
(US9249087, 39)
Show SMILES CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H19N3O2/c1-12(2)17-19-15-5-3-4-6-16(15)21(17)11-13-7-9-14(10-8-13)18(22)20-23/h3-10,12,23H,11H2,1-2H3,(H,20,22)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218193
PNG
(US9249087, 36)
Show SMILES CC(=O)NCCCc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H22N4O3/c1-14(25)21-12-4-7-19-22-17-5-2-3-6-18(17)24(19)13-15-8-10-16(11-9-15)20(26)23-27/h2-3,5-6,8-11,27H,4,7,12-13H2,1H3,(H,21,25)(H,23,26)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218208
PNG
(US9249087, 49)
Show SMILES CN(C)c1cccc(Cc2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C16H18N2O2/c1-18(2)15-5-3-4-13(11-15)10-12-6-8-14(9-7-12)16(19)17-20/h3-9,11,20H,10H2,1-2H3,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218214
PNG
(US9249087, 53)
Show SMILES CC(C)N(Cc1ccc(cc1)C(=O)NO)C(C)C
Show InChI InChI=1S/C14H22N2O2/c1-10(2)16(11(3)4)9-12-5-7-13(8-6-12)14(17)15-18/h5-8,10-11,18H,9H2,1-4H3,(H,15,17)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218242
PNG
(US9249087, Table 1 , Compound 19)
Show SMILES CC(C)C(C(C)C)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H21NO2/c1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(16)15-17/h5-10,13,17H,1-4H3,(H,15,16)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218195
PNG
(US9249087, 38)
Show SMILES CN(C)CCc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H22N4O2/c1-22(2)12-11-18-20-16-5-3-4-6-17(16)23(18)13-14-7-9-15(10-8-14)19(24)21-25/h3-10,25H,11-13H2,1-2H3,(H,21,24)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218220
PNG
(US9249087, 59)
Show SMILES COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218239
PNG
(US9249087, Table 1 , Compound 16)
Show SMILES COC[C@@H]1CCCC1c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H19NO3/c1-18-9-12-3-2-4-13(12)10-5-7-11(8-6-10)14(16)15-17/h5-8,12-13,17H,2-4,9H2,1H3,(H,15,16)/t12-,13?/m0/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218230
PNG
(US9249087, Table 1 , Compound 7)
Show SMILES CN1CCN(CCc2cc(-c3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H26N3O2/c1-25-12-14-26(15-13-25)11-10-19-16-22(21-5-3-2-4-20(19)21)17-6-8-18(9-7-17)23(27)24-28/h2-9,16,28H,10-15H2,1H3,(H,24,27)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218174
PNG
(US9249087, 17)
Show SMILES CN1CCN(CCc2cn(CC3=CCC(C=C3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H30N4O2/c1-25-12-14-26(15-13-25)11-10-20-17-27(22-5-3-2-4-21(20)22)16-18-6-8-19(9-7-18)23(28)24-29/h2-8,17,19,29H,9-16H2,1H3,(H,24,28)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218167
PNG
(US9249087, 10)
Show SMILES ONC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20N2O2/c26-23(24-27)19-12-10-18(11-13-19)15-25-16-20(14-17-6-2-1-3-7-17)21-8-4-5-9-22(21)25/h1-13,16,27H,14-15H2,(H,24,26)
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n/an/a 324n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218228
PNG
(US9249087, Table 1 , Compound 5)
Show SMILES ONC(=O)c1ccc(cc1)-c1cc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H18NO2/c25-23(24-26)18-12-10-17(11-13-18)22-15-19(14-16-6-2-1-3-7-16)20-8-4-5-9-21(20)22/h1-13,15,26H,14H2,(H,24,25)
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n/an/a 324n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218225
PNG
(US9249087, Table 1 , Compound 2)
Show SMILES Cc1cc2ccccc2c1-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H14NO2/c1-11-10-14-4-2-3-5-15(14)16(11)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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n/an/a 397n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 397n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218159
PNG
(US9249087, 2)
Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)
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n/an/a 417n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218224
PNG
(US9249087, Table 1 , Compound 1)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccc2ccccc12
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218229
PNG
(US9249087, Table 1 , Compound 6)
Show SMILES CN(C)CCc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C20H21N2O2/c1-22(2)12-11-16-13-19(18-6-4-3-5-17(16)18)14-7-9-15(10-8-14)20(23)21-24/h3-10,13,24H,11-12H2,1-2H3,(H,21,23)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218176
PNG
(US9249087, 19)
Show SMILES CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218238
PNG
(US9249087, Table 1 , Compound 15)
Show SMILES ONC(=O)c1ccc(cc1)C1CCCC1
Show InChI InChI=1S/C12H15NO2/c14-12(13-15)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,15H,1-4H2,(H,13,14)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218218
PNG
(US9249087, 57)
Show SMILES ONC(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C12H16N2O2/c15-12(13-16)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218187
PNG
(US9249087, 30)
Show SMILES CS(=O)(=O)NCCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C19H21N3O4S/c1-27(25,26)20-11-10-16-13-22(18-5-3-2-4-17(16)18)12-14-6-8-15(9-7-14)19(23)21-24/h2-9,13,20,24H,10-12H2,1H3,(H,21,23)
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n/an/a 623n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218163
PNG
(US9249087, 6)
Show SMILES Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218226
PNG
(US9249087, Table 1 , Compound 3)
Show SMILES Cc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H14NO2/c1-11-10-16(15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218231
PNG
(US9249087, Table 1 , Compound 8)
Show SMILES ONC(=O)c1ccc(cc1)-c1cnc2cncnc12
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218169
PNG
(US9249087, 12)
Show SMILES ONC(=O)c1ccc(Cn2cnc3cncnc23)cc1
Show InChI InChI=1S/C13H11N5O2/c19-13(17-20)10-3-1-9(2-4-10)6-18-8-16-11-5-14-7-15-12(11)18/h1-5,7-8,20H,6H2,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218218
PNG
(US9249087, 57)
Show SMILES ONC(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C12H16N2O2/c15-12(13-16)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218238
PNG
(US9249087, Table 1 , Compound 15)
Show SMILES ONC(=O)c1ccc(cc1)C1CCCC1
Show InChI InChI=1S/C12H15NO2/c14-12(13-15)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,15H,1-4H2,(H,13,14)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218230
PNG
(US9249087, Table 1 , Compound 7)
Show SMILES CN1CCN(CCc2cc(-c3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H26N3O2/c1-25-12-14-26(15-13-25)11-10-19-16-22(21-5-3-2-4-20(19)21)17-6-8-18(9-7-17)23(27)24-28/h2-9,16,28H,10-15H2,1H3,(H,24,27)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218174
PNG
(US9249087, 17)
Show SMILES CN1CCN(CCc2cn(CC3=CCC(C=C3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C23H30N4O2/c1-25-12-14-26(15-13-25)11-10-20-17-27(22-5-3-2-4-21(20)22)16-18-6-8-19(9-7-18)23(28)24-29/h2-8,17,19,29H,9-16H2,1H3,(H,24,28)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218222
PNG
(US9249087, 61)
Show SMILES COC[C@H]1CCCN1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218240
PNG
(US9249087, Table 1 , Compound 17)
Show SMILES COC[C@H]1CCCC1c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H19NO3/c1-18-9-12-3-2-4-13(12)10-5-7-11(8-6-10)14(16)15-17/h5-8,12-13,17H,2-4,9H2,1H3,(H,15,16)/t12-,13?/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 1.27E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 1.27E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 1.40E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218236
PNG
(US9249087, Table 1 , Compound 13)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccc[nH]1
Show InChI InChI=1S/C11H10N2O2/c14-11(13-15)9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7,12,15H,(H,13,14)
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n/an/a 1.47E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218202
PNG
(US9249087, 43)
Show SMILES ONC(=O)c1ccc(Cn2cccn2)cc1
Show InChI InChI=1S/C11H11N3O2/c15-11(13-16)10-4-2-9(3-5-10)8-14-7-1-6-12-14/h1-7,16H,8H2,(H,13,15)
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n/an/a 1.47E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218220
PNG
(US9249087, 59)
Show SMILES COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218239
PNG
(US9249087, Table 1 , Compound 16)
Show SMILES COC[C@@H]1CCCC1c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H19NO3/c1-18-9-12-3-2-4-13(12)10-5-7-11(8-6-10)14(16)15-17/h5-8,12-13,17H,2-4,9H2,1H3,(H,15,16)/t12-,13?/m0/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218214
PNG
(US9249087, 53)
Show SMILES CC(C)N(Cc1ccc(cc1)C(=O)NO)C(C)C
Show InChI InChI=1S/C14H22N2O2/c1-10(2)16(11(3)4)9-12-5-7-13(8-6-12)14(17)15-18/h5-8,10-11,18H,9H2,1-4H3,(H,15,17)
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n/an/a 1.92E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218242
PNG
(US9249087, Table 1 , Compound 19)
Show SMILES CC(C)C(C(C)C)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H21NO2/c1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(16)15-17/h5-10,13,17H,1-4H3,(H,15,16)
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n/an/a 1.92E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218216
PNG
(US9249087, 55)
Show SMILES ONC(=O)c1ccc(CN(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O2/c23-20(21-24)17-13-11-16(12-14-17)15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,24H,15H2,(H,21,23)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218237
PNG
(US9249087, Table 1 , Compound 14)
Show SMILES ONC(=O)c1ccc(cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c22-20(21-23)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,23H,(H,21,22)
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n/an/a 2.38E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218178
PNG
(US9249087, 21)
Show SMILES Cc1c(CN)c2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H19N3O2/c1-12-16(10-19)15-4-2-3-5-17(15)21(12)11-13-6-8-14(9-7-13)18(22)20-23/h2-9,23H,10-11,19H2,1H3,(H,20,22)
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n/an/a 3.09E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218227
PNG
(US9249087, Table 1 , Compound 4)
Show SMILES Cc1c(CN)c2ccccc2c1-c1ccc(cc1)C(=O)NO
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1/3/5/8


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 3.35E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218171
PNG
(US9249087, 14)
Show SMILES ONC(=O)c1ccc(Cn2cnc3ncncc23)cc1
Show InChI InChI=1S/C13H11N5O2/c19-13(17-20)10-3-1-9(2-4-10)6-18-8-16-12-11(18)5-14-7-15-12/h1-5,7-8,20H,6H2,(H,17,19)
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n/an/a 3.56E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218232
PNG
(US9249087, Table 1 , Compound 9)
Show SMILES ONC(=O)c1ccc(cc1)-c1cnc2ncncc12
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n/an/a 3.56E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 3.71E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 3.79E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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n/an/a 4.31E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218237
PNG
(US9249087, Table 1 , Compound 14)
Show SMILES ONC(=O)c1ccc(cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c22-20(21-23)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,23H,(H,21,22)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218216
PNG
(US9249087, 55)
Show SMILES ONC(=O)c1ccc(CN(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O2/c23-20(21-24)17-13-11-16(12-14-17)15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,24H,15H2,(H,21,23)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 5.34E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218225
PNG
(US9249087, Table 1 , Compound 2)
Show SMILES Cc1cc2ccccc2c1-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H14NO2/c1-11-10-14-4-2-3-5-15(14)16(11)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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n/an/a 5.34E+3n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218222
PNG
(US9249087, 61)
Show SMILES COC[C@H]1CCCN1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218240
PNG
(US9249087, Table 1 , Compound 17)
Show SMILES COC[C@H]1CCCC1c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H19NO3/c1-18-9-12-3-2-4-13(12)10-5-7-11(8-6-10)14(16)15-17/h5-8,12-13,17H,2-4,9H2,1H3,(H,15,16)/t12-,13?/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218235
PNG
(US9249087, Table 1 , Compound 12)
Show SMILES ONC(=O)c1ccc(cc1)-c1cccc1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218200
PNG
(US9249087, 41)
Show SMILES ONC(=O)c1ccc(Cn2cccc2)cc1
Show InChI InChI=1S/C12H12N2O2/c15-12(13-16)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h1-8,16H,9H2,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218224
PNG
(US9249087, Table 1 , Compound 1)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccc2ccccc12
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218159
PNG
(US9249087, 2)
Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218229
PNG
(US9249087, Table 1 , Compound 6)
Show SMILES CN(C)CCc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C20H21N2O2/c1-22(2)12-11-16-13-19(18-6-4-3-5-17(16)18)14-7-9-15(10-8-14)20(23)21-24/h3-10,13,24H,11-12H2,1-2H3,(H,21,23)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218176
PNG
(US9249087, 19)
Show SMILES CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C20H23N3O2/c1-22(2)12-11-17-14-23(19-6-4-3-5-18(17)19)13-15-7-9-16(10-8-15)20(24)21-25/h3-10,14,25H,11-13H2,1-2H3,(H,21,24)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218212
PNG
(US9249087, 51)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C12H18N2O2/c1-3-14(4-2)9-10-5-7-11(8-6-10)12(15)13-16/h5-8,16H,3-4,9H2,1-2H3,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218241
PNG
(US9249087, Table 1 , Compound 18)
Show SMILES CCC(CC)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C12H17NO2/c1-3-9(4-2)10-5-7-11(8-6-10)12(14)13-15/h5-9,15H,3-4H2,1-2H3,(H,13,14)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218204
PNG
(US9249087, 45)
Show SMILES ONC(=O)c1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(15-17)12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8,17H,9H2,(H,15,16)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218233
PNG
(US9249087, Table 1 , Compound 10)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C12H10N2O2/c15-12(14-16)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8,16H,(H,14,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218216
PNG
(US9249087, 55)
Show SMILES ONC(=O)c1ccc(CN(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C20H18N2O2/c23-20(21-24)17-13-11-16(12-14-17)15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,24H,15H2,(H,21,23)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218237
PNG
(US9249087, Table 1 , Compound 14)
Show SMILES ONC(=O)c1ccc(cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17NO2/c22-20(21-23)18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19,23H,(H,21,22)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218226
PNG
(US9249087, Table 1 , Compound 3)
Show SMILES Cc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H14NO2/c1-11-10-16(15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218163
PNG
(US9249087, 6)
Show SMILES Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218234
PNG
(US9249087, Table 1 , Compound 11)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C15H16N2O2/c1-17(2)14-9-7-12(8-10-14)11-3-5-13(6-4-11)15(18)16-19/h3-10,19H,1-2H3,(H,16,18)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218206
PNG
(US9249087, 47)
Show SMILES CN(C)c1ccc(Cc2ccc(cc2)C(=O)NO)cc1
Show InChI InChI=1S/C16H18N2O2/c1-18(2)15-9-5-13(6-10-15)11-12-3-7-14(8-4-12)16(19)17-20/h3-10,20H,11H2,1-2H3,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218225
PNG
(US9249087, Table 1 , Compound 2)
Show SMILES Cc1cc2ccccc2c1-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H14NO2/c1-11-10-14-4-2-3-5-15(14)16(11)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM218159
PNG
(US9249087, 2)
Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM218224
PNG
(US9249087, Table 1 , Compound 1)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccc2ccccc12
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218184
PNG
(US9249087, 27)
Show SMILES ONC(=O)c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C15H13N3O2/c19-15(17-20)12-7-5-11(6-8-12)9-18-10-16-13-3-1-2-4-14(13)18/h1-8,10,20H,9H2,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218189
PNG
(US9249087, 32)
Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C16H15N3O2/c1-11-17-14-4-2-3-5-15(14)19(11)10-12-6-8-13(9-7-12)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218224
PNG
(US9249087, Table 1 , Compound 1)
Show SMILES ONC(=O)c1ccc(cc1)-c1ccc2ccccc12
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218159
PNG
(US9249087, 2)
Show SMILES ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O2/c19-16(17-20)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10,20H,11H2,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218212
PNG
(US9249087, 51)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C12H18N2O2/c1-3-14(4-2)9-10-5-7-11(8-6-10)12(15)13-16/h5-8,16H,3-4,9H2,1-2H3,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM218241
PNG
(US9249087, Table 1 , Compound 18)
Show SMILES CCC(CC)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C12H17NO2/c1-3-9(4-2)10-5-7-11(8-6-10)12(14)13-15/h5-9,15H,3-4H2,1-2H3,(H,13,14)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7)


(Homo sapiens (human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218163
PNG
(US9249087, 6)
Show SMILES Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218226
PNG
(US9249087, Table 1 , Compound 3)
Show SMILES Cc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H14NO2/c1-11-10-16(15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218208
PNG
(US9249087, 49)
Show SMILES CN(C)c1cccc(Cc2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C16H18N2O2/c1-18(2)15-5-3-4-13(11-15)10-12-6-8-14(9-7-12)16(19)17-20/h3-9,11,20H,10H2,1-2H3,(H,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218165
PNG
(US9249087, 8)
Show SMILES Cc1c(C)c2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H18N2O2/c1-12-13(2)20(17-6-4-3-5-16(12)17)11-14-7-9-15(10-8-14)18(21)19-22/h3-10,22H,11H2,1-2H3,(H,19,21)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218228
PNG
(US9249087, Table 1 , Compound 5)
Show SMILES ONC(=O)c1ccc(cc1)-c1cc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H18NO2/c25-23(24-26)18-12-10-17(11-13-18)22-15-19(14-16-6-2-1-3-7-16)20-8-4-5-9-21(20)22/h1-13,15,26H,14H2,(H,24,25)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218167
PNG
(US9249087, 10)
Show SMILES ONC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20N2O2/c26-23(24-27)19-12-10-18(11-13-19)15-25-16-20(14-17-6-2-1-3-7-17)21-8-4-5-9-22(21)25/h1-13,16,27H,14-15H2,(H,24,26)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM218163
PNG
(US9249087, 6)
Show SMILES Cc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c1-12-10-19(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM218226
PNG
(US9249087, Table 1 , Compound 3)
Show SMILES Cc1cc(-c2ccc(cc2)C(=O)NO)c2ccccc12
Show InChI InChI=1S/C17H14NO2/c1-11-10-16(15-5-3-2-4-14(11)15)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218193
PNG
(US9249087, 36)
Show SMILES CC(=O)NCCCc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H22N4O3/c1-14(25)21-12-4-7-19-22-17-5-2-3-6-18(17)24(19)13-15-8-10-16(11-9-15)20(26)23-27/h2-3,5-6,8-11,27H,4,7,12-13H2,1H3,(H,21,25)(H,23,26)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50380399
PNG
(CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...)
Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM218225
PNG
(US9249087, Table 1 , Compound 2)
Show SMILES Cc1cc2ccccc2c1-c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H14NO2/c1-11-10-14-4-2-3-5-15(14)16(11)12-6-8-13(9-7-12)17(19)18-20/h2-10,20H,1H3,(H,18,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM218161
PNG
(US9249087, 4)
Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C17H16N2O2/c1-12-10-15-4-2-3-5-16(15)19(12)11-13-6-8-14(9-7-13)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218214
PNG
(US9249087, 53)
Show SMILES CC(C)N(Cc1ccc(cc1)C(=O)NO)C(C)C
Show InChI InChI=1S/C14H22N2O2/c1-10(2)16(11(3)4)9-12-5-7-13(8-6-12)14(17)15-18/h5-8,10-11,18H,9H2,1-4H3,(H,15,17)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218242
PNG
(US9249087, Table 1 , Compound 19)
Show SMILES CC(C)C(C(C)C)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H21NO2/c1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(16)15-17/h5-10,13,17H,1-4H3,(H,15,16)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218196
PNG
(US9249087, 39)
Show SMILES CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C18H19N3O2/c1-12(2)17-19-15-5-3-4-6-16(15)21(17)11-13-7-9-14(10-8-13)18(22)20-23/h3-10,12,23H,11H2,1-2H3,(H,20,22)
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n/an/a 2.77E+4n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218239
PNG
(US9249087, Table 1 , Compound 16)
Show SMILES COC[C@@H]1CCCC1c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H19NO3/c1-18-9-12-3-2-4-13(12)10-5-7-11(8-6-10)14(16)15-17/h5-8,12-13,17H,2-4,9H2,1H3,(H,15,16)/t12-,13?/m0/s1
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n/an/a 2.79E+4n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218220
PNG
(US9249087, 59)
Show SMILES COC[C@@H]1CCCN1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m0/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218238
PNG
(US9249087, Table 1 , Compound 15)
Show SMILES ONC(=O)c1ccc(cc1)C1CCCC1
Show InChI InChI=1S/C12H15NO2/c14-12(13-15)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,15H,1-4H2,(H,13,14)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218218
PNG
(US9249087, 57)
Show SMILES ONC(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C12H16N2O2/c15-12(13-16)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h3-6,16H,1-2,7-9H2,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218179
PNG
(US9249087, 22)
Show SMILES NC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O/c17-16(19)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10H,11H2,(H2,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM218180
PNG
(US9249087, 23)
Show SMILES CC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C17H15NO/c1-13(19)15-8-6-14(7-9-15)12-18-11-10-16-4-2-3-5-17(16)18/h2-11H,12H2,1H3
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218241
PNG
(US9249087, Table 1 , Compound 18)
Show SMILES CCC(CC)c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C12H17NO2/c1-3-9(4-2)10-5-7-11(8-6-10)12(14)13-15/h5-9,15H,3-4H2,1-2H3,(H,13,14)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218167
PNG
(US9249087, 10)
Show SMILES ONC(=O)c1ccc(Cn2cc(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H20N2O2/c26-23(24-27)19-12-10-18(11-13-19)15-25-16-20(14-17-6-2-1-3-7-17)21-8-4-5-9-22(21)25/h1-13,16,27H,14-15H2,(H,24,26)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218179
PNG
(US9249087, 22)
Show SMILES NC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O/c17-16(19)14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)18/h1-10H,11H2,(H2,17,19)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7)


(Homo sapiens (human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218222
PNG
(US9249087, 61)
Show SMILES COC[C@H]1CCCN1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H20N2O3/c1-19-10-13-3-2-8-16(13)9-11-4-6-12(7-5-11)14(17)15-18/h4-7,13,18H,2-3,8-10H2,1H3,(H,15,17)/t13-/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218212
PNG
(US9249087, 51)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C12H18N2O2/c1-3-14(4-2)9-10-5-7-11(8-6-10)12(15)13-16/h5-8,16H,3-4,9H2,1-2H3,(H,13,15)
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218180
PNG
(US9249087, 23)
Show SMILES CC(=O)c1ccc(Cn2ccc3ccccc23)cc1
Show InChI InChI=1S/C17H15NO/c1-13(19)15-8-6-14(7-9-15)12-18-11-10-16-4-2-3-5-17(16)18/h2-11H,12H2,1H3
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THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1/3/5/8


(Homo sapiens (Human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218240
PNG
(US9249087, Table 1 , Compound 17)
Show SMILES COC[C@H]1CCCC1c1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C14H19NO3/c1-18-9-12-3-2-4-13(12)10-5-7-11(8-6-10)14(16)15-17/h5-8,12-13,17H,2-4,9H2,1H3,(H,15,16)/t12-,13?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (human))
BDBM22449
PNG
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)
Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM218195
PNG
(US9249087, 38)
Show SMILES CN(C)CCc1nc2ccccc2n1Cc1ccc(cc1)C(=O)NO
Show InChI InChI=1S/C19H22N4O2/c1-22(2)12-11-18-20-16-5-3-4-6-17(16)23(18)13-14-7-9-15(10-8-14)19(24)21-25/h3-10,25H,11-13H2,1-2H3,(H,21,24)
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n/an/a 5.24E+4n/an/an/an/an/an/a



THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS; THE CHILDREN'S HOSPITAL OF PHILADELPHIA

US Patent


Assay Description
HDAC assay is performed using fluorescently-labeled acetylated substrate, which comprises an acetylated lysine side chain. After incubation with HDAC...


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