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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'asfaha' and Initial = 'y'   
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 9


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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8n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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20n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538987
PNG
(CHEMBL4645688)
Show SMILES COc1cc(OC)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O6/c1-21-12-8-11(9-13(10-12)22-2)15(19)17-23-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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30n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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39n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC7 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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50n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538984
PNG
(CHEMBL4643795)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C16H24N2O7/c1-22-12-9-11(10-13(23-2)15(12)24-3)16(20)18-25-8-6-4-5-7-14(19)17-21/h9-10,21H,4-8H2,1-3H3,(H,17,19)(H,18,20)
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60n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538987
PNG
(CHEMBL4645688)
Show SMILES COc1cc(OC)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O6/c1-21-12-8-11(9-13(10-12)22-2)15(19)17-23-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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60n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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75n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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80n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538984
PNG
(CHEMBL4643795)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C16H24N2O7/c1-22-12-9-11(10-13(23-2)15(12)24-3)16(20)18-25-8-6-4-5-7-14(19)17-21/h9-10,21H,4-8H2,1-3H3,(H,17,19)(H,18,20)
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90n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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90n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538986
PNG
(CHEMBL4638555)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H16F2N2O4/c14-10-6-9(7-11(15)8-10)13(19)17-21-5-3-1-2-4-12(18)16-20/h6-8,20H,1-5H2,(H,16,18)(H,17,19)
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100n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538989
PNG
(CHEMBL4639388)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C13H16Br2N2O4/c14-10-6-9(7-11(15)8-10)13(19)17-21-5-3-1-2-4-12(18)16-20/h6-8,20H,1-5H2,(H,16,18)(H,17,19)
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120n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50503690
PNG
(CHEMBL4456445)
Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F
Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)
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170n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC4


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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182n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC5 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50517219
PNG
(CHEMBL4456269)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)C(=O)NO)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-12-10-24(11-13-28,23-26-20(15-32-23)17-6-3-2-4-7-17)16-25-21(29)18-8-5-9-19(14-18)22(30)27-31/h2-9,14-15,31H,10-13,16H2,1H3,(H,25,29)(H,27,30)
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189n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538989
PNG
(CHEMBL4639388)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C13H16Br2N2O4/c14-10-6-9(7-11(15)8-10)13(19)17-21-5-3-1-2-4-12(18)16-20/h6-8,20H,1-5H2,(H,16,18)(H,17,19)
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210n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538990
PNG
(CHEMBL4636427)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(I)cc(I)c1I
Show InChI InChI=1S/C13H15I3N2O4/c14-8-6-9(12(16)10(15)7-8)13(20)18-22-5-3-1-2-4-11(19)17-21/h6-7,21H,1-5H2,(H,17,19)(H,18,20)
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330n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538991
PNG
(CHEMBL4635256)
Show SMILES ONC(=O)CCCCCONC(=O)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C12H15Cl2N3O4/c13-8-6-15-7-9(14)11(8)12(19)17-21-5-3-1-2-4-10(18)16-20/h6-7,20H,1-5H2,(H,16,18)(H,17,19)
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350n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538992
PNG
(CHEMBL4643138)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-10-7-11(2)9-12(8-10)14(18)16-20-6-4-3-5-13(17)15-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)
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370n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538992
PNG
(CHEMBL4643138)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-10-7-11(2)9-12(8-10)14(18)16-20-6-4-3-5-13(17)15-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)
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420n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538988
PNG
(CHEMBL4638018)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H16F6N2O4/c16-14(17,18)10-6-9(7-11(8-10)15(19,20)21)13(25)23-27-5-3-1-2-4-12(24)22-26/h6-8,26H,1-5H2,(H,22,24)(H,23,25)
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550n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538988
PNG
(CHEMBL4638018)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H16F6N2O4/c16-14(17,18)10-6-9(7-11(8-10)15(19,20)21)13(25)23-27-5-3-1-2-4-12(24)22-26/h6-8,26H,1-5H2,(H,22,24)(H,23,25)
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560n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538986
PNG
(CHEMBL4638555)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H16F2N2O4/c14-10-6-9(7-11(15)8-10)13(19)17-21-5-3-1-2-4-12(18)16-20/h6-8,20H,1-5H2,(H,16,18)(H,17,19)
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580n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538990
PNG
(CHEMBL4636427)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(I)cc(I)c1I
Show InChI InChI=1S/C13H15I3N2O4/c14-8-6-9(12(16)10(15)7-8)13(20)18-22-5-3-1-2-4-11(19)17-21/h6-7,21H,1-5H2,(H,17,19)(H,18,20)
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1.33E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50517219
PNG
(CHEMBL4456269)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)C(=O)NO)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-12-10-24(11-13-28,23-26-20(15-32-23)17-6-3-2-4-7-17)16-25-21(29)18-8-5-9-19(14-18)22(30)27-31/h2-9,14-15,31H,10-13,16H2,1H3,(H,25,29)(H,27,30)
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1.33E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538991
PNG
(CHEMBL4635256)
Show SMILES ONC(=O)CCCCCONC(=O)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C12H15Cl2N3O4/c13-8-6-15-7-9(14)11(8)12(19)17-21-5-3-1-2-4-10(18)16-20/h6-7,20H,1-5H2,(H,16,18)(H,17,19)
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1.36E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50538985
PNG
(CHEMBL4645307)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C21H34N2O4/c1-20(2,3)16-12-15(13-17(14-16)21(4,5)6)19(25)23-27-11-9-7-8-10-18(24)22-26/h12-14,26H,7-11H2,1-6H3,(H,22,24)(H,23,25)
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1.57E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC2


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50538985
PNG
(CHEMBL4645307)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C21H34N2O4/c1-20(2,3)16-12-15(13-17(14-16)21(4,5)6)19(25)23-27-11-9-7-8-10-18(24)22-26/h12-14,26H,7-11H2,1-6H3,(H,22,24)(H,23,25)
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2.15E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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2.81E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50517219
PNG
(CHEMBL4456269)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)C(=O)NO)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-12-10-24(11-13-28,23-26-20(15-32-23)17-6-3-2-4-7-17)16-25-21(29)18-8-5-9-19(14-18)22(30)27-31/h2-9,14-15,31H,10-13,16H2,1H3,(H,25,29)(H,27,30)
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3.94E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC7 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538989
PNG
(CHEMBL4639388)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C13H16Br2N2O4/c14-10-6-9(7-11(15)8-10)13(19)17-21-5-3-1-2-4-12(18)16-20/h6-8,20H,1-5H2,(H,16,18)(H,17,19)
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4.44E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50424996
PNG
(CHEMBL2312168)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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4.81E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538988
PNG
(CHEMBL4638018)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H16F6N2O4/c16-14(17,18)10-6-9(7-11(8-10)15(19,20)21)13(25)23-27-5-3-1-2-4-12(24)22-26/h6-8,26H,1-5H2,(H,22,24)(H,23,25)
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4.90E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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5.33E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538987
PNG
(CHEMBL4645688)
Show SMILES COc1cc(OC)cc(c1)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C15H22N2O6/c1-21-12-8-11(9-13(10-12)22-2)15(19)17-23-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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5.69E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50517219
PNG
(CHEMBL4456269)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)C(=O)NO)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-12-10-24(11-13-28,23-26-20(15-32-23)17-6-3-2-4-7-17)16-25-21(29)18-8-5-9-19(14-18)22(30)27-31/h2-9,14-15,31H,10-13,16H2,1H3,(H,25,29)(H,27,30)
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5.98E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC9 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538984
PNG
(CHEMBL4643795)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NOCCCCCC(=O)NO
Show InChI InChI=1S/C16H24N2O7/c1-22-12-9-11(10-13(23-2)15(12)24-3)16(20)18-25-8-6-4-5-7-14(19)17-21/h9-10,21H,4-8H2,1-3H3,(H,17,19)(H,18,20)
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6.40E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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7.66E+3n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538990
PNG
(CHEMBL4636427)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(I)cc(I)c1I
Show InChI InChI=1S/C13H15I3N2O4/c14-8-6-9(12(16)10(15)7-8)13(20)18-22-5-3-1-2-4-11(19)17-21/h6-7,21H,1-5H2,(H,17,19)(H,18,20)
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1.00E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50517219
PNG
(CHEMBL4456269)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)C(=O)NO)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-12-10-24(11-13-28,23-26-20(15-32-23)17-6-3-2-4-7-17)16-25-21(29)18-8-5-9-19(14-18)22(30)27-31/h2-9,14-15,31H,10-13,16H2,1H3,(H,25,29)(H,27,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50517219
PNG
(CHEMBL4456269)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)C(=O)NO)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-12-10-24(11-13-28,23-26-20(15-32-23)17-6-3-2-4-7-17)16-25-21(29)18-8-5-9-19(14-18)22(30)27-31/h2-9,14-15,31H,10-13,16H2,1H3,(H,25,29)(H,27,30)
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1.19E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538986
PNG
(CHEMBL4638555)
Show SMILES ONC(=O)CCCCCONC(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H16F2N2O4/c14-10-6-9(7-11(15)8-10)13(19)17-21-5-3-1-2-4-12(18)16-20/h6-8,20H,1-5H2,(H,16,18)(H,17,19)
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1.47E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538991
PNG
(CHEMBL4635256)
Show SMILES ONC(=O)CCCCCONC(=O)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C12H15Cl2N3O4/c13-8-6-15-7-9(14)11(8)12(19)17-21-5-3-1-2-4-10(18)16-20/h6-7,20H,1-5H2,(H,16,18)(H,17,19)
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1.89E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50517219
PNG
(CHEMBL4456269)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)C(=O)NO)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-12-10-24(11-13-28,23-26-20(15-32-23)17-6-3-2-4-7-17)16-25-21(29)18-8-5-9-19(14-18)22(30)27-31/h2-9,14-15,31H,10-13,16H2,1H3,(H,25,29)(H,27,30)
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>1.90E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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>1.90E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50517218
PNG
(CHEMBL4525406)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)-c2noc(n2)C(F)(F)F)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N5O2S/c1-34-12-10-25(11-13-34,24-31-20(15-37-24)17-6-3-2-4-7-17)16-30-22(35)19-9-5-8-18(14-19)21-32-23(36-33-21)26(27,28)29/h2-9,14-15H,10-13,16H2,1H3,(H,30,35)
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>1.90E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50517219
PNG
(CHEMBL4456269)
Show SMILES CN1CCC(CNC(=O)c2cccc(c2)C(=O)NO)(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3S/c1-28-12-10-24(11-13-28,23-26-20(15-32-23)17-6-3-2-4-7-17)16-25-21(29)18-8-5-9-19(14-18)22(30)27-31/h2-9,14-15,31H,10-13,16H2,1H3,(H,25,29)(H,27,30)
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>1.90E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin)


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.115087
BindingDB Entry DOI: 10.7270/Q2VM4GMZ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50538992
PNG
(CHEMBL4643138)
Show SMILES Cc1cc(C)cc(c1)C(=O)NOCCCCC(=O)NO
Show InChI InChI=1S/C14H20N2O4/c1-10-7-11(2)9-12(8-10)14(18)16-20-6-4-3-5-13(17)15-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)
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2.23E+4n/an/an/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC8


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115108
BindingDB Entry DOI: 10.7270/Q2NV9NSQ
More data for this
Ligand-Target Pair
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