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Compile Data Set for Download or QSAR

Found 204 hits of ic50 data for polymerid = 2640   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50101331
PNG
(CHEMBL3329621)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSSCC\C=C\[C@@H]1CC(=O)NCc3nc(cs3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O1)n2
Show InChI InChI=1/C42H54N8O8S6/c1-23(2)33-37(53)57-25(15-29(51)43-17-31-45-27(19-59-31)35-49-41(5,21-61-35)39(55)47-33)11-7-9-13-63-64-14-10-8-12-26-16-30(52)44-18-32-46-28(20-60-32)36-50-42(6,22-62-36)40(56)48-34(24(3)4)38(54)58-26/h7-8,11-12,19-20,23-26,33-34H,9-10,13-18,21-22H2,1-6H3,(H,43,51)(H,44,52)(H,47,55)(H,48,56)/b11-7+,12-8+/t25-,26-,33+,34+,41+,42+/s2
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n/an/a 0.100n/an/an/an/an/an/a



Department of Medicinal Chemistry and Center for Natural Products, Drug Discovery and Development (CNPD3), University of Florida , Gainesville, Florida 32610, United States ; Marine Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) incubated for 3 hrs in presence of BSA and DTT by fluorescence assay


ACS Med Chem Lett 5: 905-10 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50101330
PNG
(CHEMBL3329622)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n2
Show InChI InChI=1/C33H49N5O8S4/c1-19(2)25-28(41)44-20(14-23(39)34-15-24-35-21(16-47-24)26-38-33(9,18-48-26)29(42)37-25)12-10-11-13-49-50-17-22(27(40)45-31(3,4)5)36-30(43)46-32(6,7)8/h10,12,16,19-20,22,25H,11,13-15,17-18H2,1-9H3,(H,34,39)(H,36,43)(H,37,42)/b12-10+/t20-,22+,25+,33+/s2
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n/an/a 0.200n/an/an/an/an/an/a



Department of Medicinal Chemistry and Center for Natural Products, Drug Discovery and Development (CNPD3), University of Florida , Gainesville, Florida 32610, United States ; Marine Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) incubated for 3 hrs in presence of BSA and DTT by fluorescence assay


ACS Med Chem Lett 5: 905-10 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50354086
PNG
(FK-228 | Istodax | ROMIDEPSIN)
Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C
Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Department of Medicinal Chemistry and Center for Natural Products, Drug Discovery and Development (CNPD3), University of Florida , Gainesville, Florida 32610, United States ; Marine Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) incubated for 3 hrs in presence of BSA and DTT by fluorescence assay


ACS Med Chem Lett 5: 905-10 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027494
PNG
(CHEMBL3356916)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1
Show InChI InChI=1/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/s2
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n/an/a 1n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(...


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


(Homo sapiens (Human))
BDBM50304782
PNG
(CHEMBL609583 | N-hydroxy-2-(4-(naphthalen-2-ylsulf...)
Show SMILES ONC(=O)c1cnc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
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n/an/a 2.10n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 20: 294-8 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027495
PNG
(CHEMBL3356917)
Show SMILES Cc1ccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)cc1
Show InChI InChI=1/C20H29N3O3S/c1-14-9-11-15(12-10-14)21-19(25)17(6-3-2-4-13-27)23-20(26)16-7-5-8-18(24)22-16/h9-12,16-17,27H,2-8,13H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50020912
PNG
(LARGAZOLE THIOL | Largazole Thiol)
Show SMILES CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Department of Medicinal Chemistry and Center for Natural Products, Drug Discovery and Development (CNPD3), University of Florida , Gainesville, Florida 32610, United States ; Marine Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) incubated for 3 hrs in presence of BSA and in absence of DTT by fluorescence assay


ACS Med Chem Lett 5: 905-10 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50156678
PNG
(CHEMBL3792392)
Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+
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n/an/a 3.30n/an/an/an/an/an/a



Sungkyunkwan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(...


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


(Homo sapiens (Human))
BDBM50027521
PNG
(CHEMBL3356925)
Show SMILES SCCCCC[C@H](NC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21-/s2
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n/an/a 4n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027648
PNG
(CHEMBL3356526)
Show SMILES CN1[C@@H](CCCC1=O)C(=O)N[C@@H](CCCCCS)C(=O)Nc1ccccc1
Show InChI InChI=1/C20H29N3O3S/c1-23-17(12-8-13-18(23)24)20(26)22-16(11-6-3-7-14-27)19(25)21-15-9-4-2-5-10-15/h2,4-5,9-10,16-17,27H,3,6-8,11-14H2,1H3,(H,21,25)(H,22,26)/t16-,17-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027501
PNG
(CHEMBL3356923)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1
Show InChI InChI=1/C19H27N3O3S/c1-13-6-5-7-14(12-13)20-18(24)15(8-3-2-4-11-26)22-19(25)16-9-10-17(23)21-16/h5-7,12,15-16,26H,2-4,8-11H2,1H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16+/s2
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n/an/a 5n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50188961
PNG
(CHEMBL3622533)
Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1
Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
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n/an/a 5.40n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC11 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC as substrate assessed as r...


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


(Homo sapiens (Human))
BDBM19428
PNG
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)
Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
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n/an/a 5.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorimetric assay


J Med Chem 53: 8387-8399 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027602
PNG
(CHEMBL3356523)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1/C19H27N3O3S/c23-17-12-7-11-15(21-17)19(25)22-16(10-5-2-6-13-26)18(24)20-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/s2
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n/an/a 6n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1
Show InChI InChI=1/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/s2
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n/an/a 9n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027589
PNG
(CHEMBL3356929)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1/C17H23N3O3S/c21-15-11-14(19-15)17(23)20-13(9-5-2-6-10-24)16(22)18-12-7-3-1-4-8-12/h1,3-4,7-8,13-14,24H,2,5-6,9-11H2,(H,18,22)(H,19,21)(H,20,23)/t13-,14-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027633
PNG
(CHEMBL3356524)
Show SMILES SCCCCC[C@H](NC(=O)[C@H]1CCCC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1/C19H27N3O3S/c23-17-12-7-11-15(21-17)19(25)22-16(10-5-2-6-13-26)18(24)20-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,24)(H,21,23)(H,22,25)/t15-,16+/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027586
PNG
(CHEMBL3356926)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027519
PNG
(CHEMBL3356924)
Show SMILES CN1[C@H](CCC1=O)C(=O)N[C@@H](CCCCCS)C(=O)Nc1cccc(C)c1
Show InChI InChI=1/C20H29N3O3S/c1-14-7-6-8-15(13-14)21-19(25)16(9-4-3-5-12-27)22-20(26)17-10-11-18(24)23(17)2/h6-8,13,16-17,27H,3-5,9-12H2,1-2H3,(H,21,25)(H,22,26)/t16-,17+/s2
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n/an/a 12n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50042848
PNG
(CHEMBL3098691)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1/C19H26N4O5/c24-16-12-11-15(21-16)19(27)22-14(9-5-2-6-10-17(25)23-28)18(26)20-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,28H,2,5-6,9-12H2,(H,20,26)(H,21,24)(H,22,27)(H,23,25)/t14-,15-/s2
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n/an/a 13n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027587
PNG
(CHEMBL3356927)
Show SMILES SCCCCC[C@H](NC(=O)[C@H]1[C@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20+,21+/s2
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n/an/a 13n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027497
PNG
(CHEMBL3356919)
Show SMILES SCCCCC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1/C18H25N3O3S/c22-16-11-10-15(20-16)18(24)21-14(9-5-2-6-12-25)17(23)19-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,25H,2,5-6,9-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15+/s2
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n/an/a 14n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 14n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC after 60 mins


J Med Chem 54: 4350-64 (2011)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50042845
PNG
(CHEMBL3353925)
Show SMILES SCCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1/C18H25N3O3S/c22-16-11-10-15(20-16)18(24)21-14(9-5-2-6-12-25)17(23)19-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,25H,2,5-6,9-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15+/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorimetric assay


J Med Chem 53: 8387-8399 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50042846
PNG
(CHEMBL3098604)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCC(=O)N2)c1
Show InChI InChI=1/C20H28N4O5/c1-13-6-5-7-14(12-13)21-19(27)15(8-3-2-4-9-18(26)24-29)23-20(28)16-10-11-17(25)22-16/h5-7,12,15-16,29H,2-4,8-11H2,1H3,(H,21,27)(H,22,25)(H,23,28)(H,24,26)/t15-,16+/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 15n/an/an/an/an/an/a



R&D Sigma-Tau SpA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 19: 2346-9 (2009)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027650
PNG
(CHEMBL3356915)
Show SMILES SCCCCC[C@H](NC(=O)[C@H]1CCCNC1=O)C(=O)Nc1ccccc1
Show InChI InChI=1/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16-/s2
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n/an/a 15n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using fluorogenic tetrapeptide RHKKAc as substrate


Eur J Med Chem 79: 251-9 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 18.3n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50304783
PNG
((+)-2-(4-(4-(4-fluorophenyl)-1-hydroxybut-3-en-2-y...)
Show SMILES OCC(\C=C\c1ccc(F)cc1)N1CCN(CC1)c1ncc(cn1)C(=O)NO
Show InChI InChI=1S/C19H22FN5O3/c20-16-4-1-14(2-5-16)3-6-17(13-26)24-7-9-25(10-8-24)19-21-11-15(12-22-19)18(27)23-28/h1-6,11-12,17,26,28H,7-10,13H2,(H,23,27)/b6-3+
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n/an/a 21n/an/an/an/an/an/a



Ortho-Biotech Oncology Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11


Bioorg Med Chem Lett 20: 294-8 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50333088
PNG
((S)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...)
Show SMILES COc1cc2COc3ccccc3NC(=O)[C@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1
Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorimetric assay


J Med Chem 53: 8387-8399 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027588
PNG
(CHEMBL3356928)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21+/s2
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n/an/a 24n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using RHKK(Ac) fluorogenic acetylated peptide substrate by fluorometric assay


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


(Homo sapiens (Human))
BDBM50027496
PNG
(CHEMBL3356918)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1/C18H25N3O3S/c22-16-11-10-15(20-16)18(24)21-14(9-5-2-6-12-25)17(23)19-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,25H,2,5-6,9-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/s2
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n/an/a 30n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)
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n/an/a 31n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorescence assay


J Med Chem 56: 427-36 (2013)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 35n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant HDAC11 expressed in baculovirus infected insect S9 cells after 30 mins by fluorescence assay


J Med Chem 58: 4325-38 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50042849
PNG
(CHEMBL3098695)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)Nc1ccccc1
Show InChI InChI=1/C18H24N4O5/c23-15(22-27)10-6-2-5-9-13(21-18(26)14-11-16(24)20-14)17(25)19-12-7-3-1-4-8-12/h1,3-4,7-8,13-14,27H,2,5-6,9-11H2,(H,19,25)(H,20,24)(H,21,26)(H,22,23)/t13-,14-/s2
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n/an/a 37n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1
Show InChI InChI=1/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/s2
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n/an/a 44n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027520
PNG
(CHEMBL3353927)
Show SMILES FC(F)(F)c1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1
Show InChI InChI=1/C19H24F3N3O3S/c20-19(21,22)12-5-4-6-13(11-12)23-17(27)14(7-2-1-3-10-29)25-18(28)15-8-9-16(26)24-15/h4-6,11,14-15,29H,1-3,7-10H2,(H,23,27)(H,24,26)(H,25,28)/t14-,15+/s2
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n/an/a 44n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50038729
PNG
(CHEMBL3354920)
Show SMILES COc1ccccc1C(=O)N[C@H](COc1cccc(\C=C\C(=O)NO)c1)Cc1c[nH]c2ccccc12
Show InChI InChI=1/C28H27N3O5/c1-35-26-12-5-3-10-24(26)28(33)30-21(16-20-17-29-25-11-4-2-9-23(20)25)18-36-22-8-6-7-19(15-22)13-14-27(32)31-34/h2-15,17,21,29,34H,16,18H2,1H3,(H,30,33)(H,31,32)/b14-13+/t21-/s2
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n/an/a 53n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin)


Eur J Med Chem 89: 628-37 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50042847
PNG
(CHEMBL3098602)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C20H25F3N4O5/c21-20(22,23)12-5-4-6-13(11-12)24-18(30)14(7-2-1-3-8-17(29)27-32)26-19(31)15-9-10-16(28)25-15/h4-6,11,14-15,32H,1-3,7-10H2,(H,24,30)(H,25,28)(H,26,31)(H,27,29)/t14-,15+/s2
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n/an/a 55n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 using RHKK(Ac) as substrate by fluorimetric analysis


Bioorg Med Chem Lett 25: 459-61 (2015)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50333087
PNG
((R/S)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyc...)
Show SMILES COc1cc2COc3ccccc3NC(=O)C(CCCCCC(=O)NO)OC\C=C/c(c2)c1
Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-
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n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorimetric assay


J Med Chem 53: 8387-8399 (2010)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027500
PNG
(CHEMBL3356922)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCC(=O)N2)c1
Show InChI InChI=1/C19H27N3O3S/c1-13-6-5-7-14(12-13)20-18(24)15(8-3-2-4-11-26)22-19(25)16-9-10-17(23)21-16/h5-7,12,15-16,26H,2-4,8-11H2,1H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/s2
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n/an/a 62n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027499
PNG
(CHEMBL3356921)
Show SMILES CN1[C@H](CCC1=O)C(=O)N[C@@H](CCCCCS)C(=O)Nc1ccccc1
Show InChI InChI=1/C19H27N3O3S/c1-22-16(11-12-17(22)23)19(25)21-15(10-6-3-7-13-26)18(24)20-14-8-4-2-5-9-14/h2,4-5,8-9,15-16,26H,3,6-7,10-13H2,1H3,(H,20,24)(H,21,25)/t15-,16+/s2
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n/an/a 67n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM119440
PNG
(BDBM119696 | US8685986, 15)
Show SMILES ONC(=O)c1ccc(CNC(=O)c2[nH]c(cc2-c2ccoc2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C23H19N3O5/c27-18-7-5-15(6-8-18)20-11-19(17-9-10-31-13-17)21(25-20)23(29)24-12-14-1-3-16(4-2-14)22(28)26-30/h1-11,13,25,27,30H,12H2,(H,24,29)(H,26,28)
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US Patent
n/an/a 72n/an/an/an/an/a30



Universidad del País Vasco; Ikerschem, S.L.

US Patent


Assay Description
The reactions were carried out in a 96-well microplate for fluorometry in a 50 μl reaction volume. After the deacetylation reaction, Fluor-de-Ly...


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


(Homo sapiens (Human))
BDBM50027597
PNG
(CHEMBL3356937)
Show SMILES Cc1cccc(CCNC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1
Show InChI InChI=1/C22H33N3O3S/c1-16-7-5-8-17(15-16)12-13-23-21(27)18(9-3-2-4-14-29)25-22(28)19-10-6-11-20(26)24-19/h5,7-8,15,18-19,29H,2-4,6,9-14H2,1H3,(H,23,27)(H,24,26)(H,25,28)/t18-,19-/s2
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n/an/a 82n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027591
PNG
(CHEMBL3356931)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1
Show InChI InChI=1/C18H31N3O3S/c22-16-11-6-10-14(20-16)18(24)21-15(9-2-1-5-12-25)17(23)19-13-7-3-4-8-13/h13-15,25H,1-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/s2
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n/an/a 89n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50333089
PNG
((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...)
Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1
Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1
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n/an/a 97n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorimetric assay


J Med Chem 53: 8387-8399 (2010)

More data for this
Ligand-Target Pair
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