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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'ficner' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50154337
PNG
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50154337
PNG
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50154337
PNG
(6-((5S,11S,13aR)-5-benzyl-8,8-dimethyl-4,7,10,13-t...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C26H37N5O6/c1-26(2)25(36)28-19(16-17-10-5-3-6-11-17)24(35)31-15-9-13-20(31)23(34)27-18(22(33)29-26)12-7-4-8-14-21(32)30-37/h3,5-6,10-11,18-20,37H,4,7-9,12-16H2,1-2H3,(H,27,34)(H,28,36)(H,29,33)(H,30,32)/t18-,19-,20+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375534
PNG
(CHEMBL259517)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C30H34N2O5/c1-37-30(35)27(31-28(33)11-7-2-3-8-12-29(34)32-36)21-22-13-15-24(16-14-22)26-19-17-25(18-20-26)23-9-5-4-6-10-23/h4-6,9-10,13-20,27,36H,2-3,7-8,11-12,21H2,1H3,(H,31,33)(H,32,34)/t27-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Exportin-1


(Homo sapiens (Human))
BDBM50245464
PNG
(CHEBI:52646 | LEPTOMYCIN B)
Show SMILES CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O |r,c:9|
Show InChI InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



Georg-August-University G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization com...


J Med Chem 63: 7545-7558 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00143
BindingDB Entry DOI: 10.7270/Q23B63PG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 240n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50115659
PNG
((S)-3-biphenyl-4-yl-2-(7-hydroxycarbamoyl-heptanoy...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C24H30N2O5/c1-31-24(29)21(25-22(27)11-7-2-3-8-12-23(28)26-30)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21,30H,2-3,7-8,11-12,17H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375542
PNG
(CHEMBL261492)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 570n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375540
PNG
(CHEMBL259708)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375548
PNG
(CHEMBL259434)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375534
PNG
(CHEMBL259517)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C30H34N2O5/c1-37-30(35)27(31-28(33)11-7-2-3-8-12-29(34)32-36)21-22-13-15-24(16-14-22)26-19-17-25(18-20-26)23-9-5-4-6-10-23/h4-6,9-10,13-20,27,36H,2-3,7-8,11-12,21H2,1H3,(H,31,33)(H,32,34)/t27-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 750n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375534
PNG
(CHEMBL259517)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C30H34N2O5/c1-37-30(35)27(31-28(33)11-7-2-3-8-12-29(34)32-36)21-22-13-15-24(16-14-22)26-19-17-25(18-20-26)23-9-5-4-6-10-23/h4-6,9-10,13-20,27,36H,2-3,7-8,11-12,21H2,1H3,(H,31,33)(H,32,34)/t27-/m0/s1
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n/an/a 960n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375535
PNG
(CHEMBL264411)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50115659
PNG
((S)-3-biphenyl-4-yl-2-(7-hydroxycarbamoyl-heptanoy...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C24H30N2O5/c1-31-24(29)21(25-22(27)11-7-2-3-8-12-23(28)26-30)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21,30H,2-3,7-8,11-12,17H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375536
PNG
(CHEMBL409526)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O6/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375548
PNG
(CHEMBL259434)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50115659
PNG
((S)-3-biphenyl-4-yl-2-(7-hydroxycarbamoyl-heptanoy...)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C24H30N2O5/c1-31-24(29)21(25-22(27)11-7-2-3-8-12-23(28)26-30)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21,30H,2-3,7-8,11-12,17H2,1H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375543
PNG
(CHEMBL261272)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C25H32N2O5/c1-32-25(30)22(26-23(28)12-8-3-2-4-9-13-24(29)27-31)18-19-14-16-21(17-15-19)20-10-6-5-7-11-20/h5-7,10-11,14-17,22,31H,2-4,8-9,12-13,18H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1
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n/an/a 1.68E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375546
PNG
(CHEMBL406734)
Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCC(=O)NO |r|
Show InChI InChI=1S/C18H25BrN2O5/c1-26-18(24)15(12-13-8-10-14(19)11-9-13)20-16(22)6-4-2-3-5-7-17(23)21-25/h8-11,15,25H,2-7,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375539
PNG
(CHEMBL264926)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
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n/an/a 1.77E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375545
PNG
(CHEMBL260080)
Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C19H27BrN2O5/c1-27-19(25)16(13-14-9-11-15(20)12-10-14)21-17(23)7-5-3-2-4-6-8-18(24)22-26/h9-12,16,26H,2-8,13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375543
PNG
(CHEMBL261272)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C25H32N2O5/c1-32-25(30)22(26-23(28)12-8-3-2-4-9-13-24(29)27-31)18-19-14-16-21(17-15-19)20-10-6-5-7-11-20/h5-7,10-11,14-17,22,31H,2-4,8-9,12-13,18H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1
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n/an/a 2.33E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375537
PNG
(CHEMBL261587)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
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n/an/a 2.33E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375537
PNG
(CHEMBL261587)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
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n/an/a 2.44E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375541
PNG
(CHEMBL409860)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
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n/an/a 2.55E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375538
PNG
(CHEMBL427776)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O6/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 2.61E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375544
PNG
(CHEMBL263884)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C29H34N2O5/c1-36-29(34)26(30-27(32)11-5-3-2-4-6-12-28(33)31-35)19-21-13-15-23(16-14-21)25-18-17-22-9-7-8-10-24(22)20-25/h7-10,13-18,20,26,35H,2-6,11-12,19H2,1H3,(H,30,32)(H,31,33)/t26-/m0/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50082665
PNG
(4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO
Show InChI InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)
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n/an/a 2.96E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375548
PNG
(CHEMBL259434)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C28H32N2O5/c1-35-28(33)25(29-26(31)10-4-2-3-5-11-27(32)30-34)18-20-12-14-22(15-13-20)24-17-16-21-8-6-7-9-23(21)19-24/h6-9,12-17,19,25,34H,2-5,10-11,18H2,1H3,(H,29,31)(H,30,32)/t25-/m0/s1
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n/an/a 2.98E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375539
PNG
(CHEMBL264926)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
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n/an/a 3.01E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375535
PNG
(CHEMBL264411)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
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n/an/a 3.03E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375536
PNG
(CHEMBL409526)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O6/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
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n/an/a 3.18E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375546
PNG
(CHEMBL406734)
Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCC(=O)NO |r|
Show InChI InChI=1S/C18H25BrN2O5/c1-26-18(24)15(12-13-8-10-14(19)11-9-13)20-16(22)6-4-2-3-5-7-17(23)21-25/h8-11,15,25H,2-7,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1
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n/an/a 3.19E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375540
PNG
(CHEMBL259708)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
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n/an/a 3.34E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375540
PNG
(CHEMBL259708)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccsc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
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n/an/a 4.02E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375541
PNG
(CHEMBL409860)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O5S/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
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n/an/a 4.09E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Exportin-1


(Homo sapiens (Human))
BDBM50540955
PNG
(CHEMBL1450050)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c(o1)N(C)C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O6S/c1-23(2)20-19(30(24,25)14-8-6-13(21)7-9-14)22-18(29-20)12-10-15(26-3)17(28-5)16(11-12)27-4/h6-11H,1-5H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Georg-August-University G£ttingen

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled PKI phi(0)Leu NES binding to human CRM1 expressed in Escherichia coli BL21 (DE3) by fluorescence polarization com...


J Med Chem 63: 7545-7558 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00143
BindingDB Entry DOI: 10.7270/Q23B63PG
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375538
PNG
(CHEMBL427776)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O6/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 4.49E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375545
PNG
(CHEMBL260080)
Show SMILES COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C19H27BrN2O5/c1-27-19(25)16(13-14-9-11-15(20)12-10-14)21-17(23)7-5-3-2-4-6-8-18(24)22-26/h9-12,16,26H,2-8,13H2,1H3,(H,21,23)(H,22,24)/t16-/m0/s1
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n/an/a 4.67E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375542
PNG
(CHEMBL261492)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 5.07E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375544
PNG
(CHEMBL263884)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C29H34N2O5/c1-36-29(34)26(30-27(32)11-5-3-2-4-6-12-28(33)31-35)19-21-13-15-23(16-14-21)25-18-17-22-9-7-8-10-24(22)20-25/h7-10,13-18,20,26,35H,2-6,11-12,19H2,1H3,(H,30,32)(H,31,33)/t26-/m0/s1
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n/an/a 5.19E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract by trypsin assay


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375536
PNG
(CHEMBL409526)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O6/c1-29-22(27)19(23-20(25)6-4-2-3-5-7-21(26)24-28)14-16-8-10-17(11-9-16)18-12-13-30-15-18/h8-13,15,19,28H,2-7,14H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
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n/an/a 6.35E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375538
PNG
(CHEMBL427776)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O6/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 7.53E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Rattus norvegicus)
BDBM50375547
PNG
(CHEMBL259826)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C31H36N2O5/c1-38-31(36)28(32-29(34)12-8-3-2-4-9-13-30(35)33-37)22-23-14-16-25(17-15-23)27-20-18-26(19-21-27)24-10-6-5-7-11-24/h5-7,10-11,14-21,28,37H,2-4,8-9,12-13,22H2,1H3,(H,32,34)(H,33,35)/t28-/m0/s1
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n/an/a 8.76E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in rat liver extract


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375543
PNG
(CHEMBL261272)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C25H32N2O5/c1-32-25(30)22(26-23(28)12-8-3-2-4-9-13-24(29)27-31)18-19-14-16-21(17-15-19)20-10-6-5-7-11-20/h5-7,10-11,14-17,22,31H,2-4,8-9,12-13,18H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1
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n/an/a 9.54E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375537
PNG
(CHEMBL261587)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccco1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
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n/an/a 9.76E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50375542
PNG
(CHEMBL261492)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H28N2O5S/c1-29-22(27)18(23-20(25)8-4-2-3-5-9-21(26)24-28)15-16-10-12-17(13-11-16)19-7-6-14-30-19/h6-7,10-14,18,28H,2-5,8-9,15H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 9.99E+3n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC6 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375535
PNG
(CHEMBL264411)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccoc1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C23H30N2O6/c1-30-23(28)20(15-17-9-11-18(12-10-17)19-13-14-31-16-19)24-21(26)7-5-3-2-4-6-8-22(27)25-29/h9-14,16,20,29H,2-8,15H2,1H3,(H,24,26)(H,25,27)/t20-/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50375544
PNG
(CHEMBL263884)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCCC(=O)NO
Show InChI InChI=1S/C29H34N2O5/c1-36-29(34)26(30-27(32)11-5-3-2-4-6-12-28(33)31-35)19-21-13-15-23(16-14-21)25-18-17-22-9-7-8-10-24(22)20-25/h7-10,13-18,20,26,35H,2-6,11-12,19H2,1H3,(H,30,32)(H,31,33)/t26-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged HDAC1 expressed in human 293T cells


Bioorg Med Chem 16: 2011-33 (2008)


Article DOI: 10.1016/j.bmc.2007.10.092
BindingDB Entry DOI: 10.7270/Q25T3MCZ
More data for this
Ligand-Target Pair
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