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Compile Data Set for Download or QSAR

Found 97 hits for UniProtKB: Q9Z2V5   
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 6


(Mus musculus)
BDBM50048864
PNG
(CHEMBL3310505)
Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20|
Show InChI InChI=1/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/s2
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n/an/a 0.625n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...


Bioorg Med Chem 22: 3850-5 (2014)


Article DOI: 10.1016/j.bmc.2014.06.029
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
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 |w:8.7,2.1|
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 2.80n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6 (HDAC6)


(Mus musculus)
BDBM152481
PNG
(Z-L-Am7(betaMe)-QA (3))
Show SMILES OCCSSCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1/C26H31N3O4S2/c30-16-18-35-34-17-6-2-5-13-23(29-26(32)33-19-20-9-3-1-4-10-20)25(31)28-22-14-7-11-21-12-8-15-27-24(21)22/h1,3-4,7-12,14-15,23,30H,2,5-6,13,16-19H2,(H,28,31)(H,29,32)/t23-/s2
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n/an/a 3.20n/an/an/an/an/an/a



Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 無 of the enzyme fraction was added to 1 無 of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 無 of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
More data for this
Ligand-Target Pair
Histone deacetylase


(Mus musculus-Mus musculus (Mouse))
BDBM50221738
PNG
(CHEMBL1790595)
Show SMILES [H][C@@]12CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCCC(=O)NO)NC2=O)[C@H](C)CC
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n/an/a 4n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2427-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.018
More data for this
Ligand-Target Pair
Histone deacetylase 6 (HDAC6)


(Mus musculus)
BDBM152482
PNG
((Z-L-Am7(S-)-QA)2 (4))
Show SMILES O=C(NC(CCCCCSSCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12)C(=O)Nc1cccc2cccnc12)OCc1ccccc1 |r|
Show InChI InChI=1/C48H52N6O6S2/c55-45(51-39-27-13-21-37-23-15-29-49-43(37)39)41(53-47(57)59-33-35-17-5-1-6-18-35)25-9-3-11-31-61-62-32-12-4-10-26-42(54-48(58)60-34-36-19-7-2-8-20-36)46(56)52-40-28-14-22-38-24-16-30-50-44(38)40/h1-2,5-8,13-24,27-30,41-42H,3-4,9-12,25-26,31-34H2,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t41-,42?/s2
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n/an/a 7.5n/an/an/an/an/an/a



Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 無 of the enzyme fraction was added to 1 無 of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 無 of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222728
PNG
(CHEMBL394261 | cyclo(-L-Am7(S2Py)-A2in-L-Ala-D-Pro...)
Show SMILES C[C@@H]1NC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H37N5O4S2/c1-20-28(38)35-16-9-13-24(35)27(37)33-23(12-3-2-8-17-40-41-25-14-6-7-15-31-25)26(36)34-30(29(39)32-20)18-21-10-4-5-11-22(21)19-30/h4-7,10-11,14-15,20,23-24H,2-3,8-9,12-13,16-19H2,1H3,(H,32,39)(H,33,37)(H,34,36)/t20-,23-,24+/m0/s1
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n/an/a 8.80n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222735
PNG
(CHEMBL390991 | cyclo(-L-Am7(S2Py)-D-A1in-L-Ala-D-P...)
Show SMILES C[C@@H]1NC(=O)[C@@]2(CCc3ccccc23)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H37N5O4S2/c1-20-28(38)35-18-9-13-24(35)27(37)33-23(12-3-2-8-19-40-41-25-14-6-7-17-31-25)26(36)34-30(29(39)32-20)16-15-21-10-4-5-11-22(21)30/h4-7,10-11,14,17,20,23-24H,2-3,8-9,12-13,15-16,18-19H2,1H3,(H,32,39)(H,33,37)(H,34,36)/t20-,23-,24+,30-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50051031
PNG
(CHEMBL2158745)
Show SMILES [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)[C@@H](C)CC |r|
Show InChI InChI=1/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21-,22+,23+,25-/s2
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n/an/a 13n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50366958
PNG
(CHEMBL1790587)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C29H43N5O7/c1-4-18(2)25-29(39)34-16-8-10-23(34)28(38)30-21(9-6-5-7-11-24(35)33-40)26(36)31-22(27(37)32-25)17-19-12-14-20(41-3)15-13-19/h12-15,18,21-23,25,40H,4-11,16-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)(H,33,35)/t18-,21+,22-,23-,25+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase 6 prepared from mouse melanoma B16/BL6 cells


Bioorg Med Chem Lett 14: 2427-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.018
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19136
PNG
(CHEMBL379049 | tert-butyl N-[(1S)-1-(cycloheptylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCCC1 |r|
Show InChI InChI=1S/C19H36N2O3S/c1-19(2,3)24-18(23)21-16(13-9-6-10-14-25)17(22)20-15-11-7-4-5-8-12-15/h15-16,25H,4-14H2,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1
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n/an/a 23n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222736
PNG
(CHEMBL241555 | cyclo(-L-Am7(S2Py)-Aib-L-Ser(Bzl)-D...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](COCc2ccccc2)NC1=O
Show InChI InChI=1S/C31H41N5O5S2/c1-31(2)30(40)34-24(21-41-20-22-12-5-3-6-13-22)29(39)36-18-11-15-25(36)28(38)33-23(27(37)35-31)14-7-4-10-19-42-43-26-16-8-9-17-32-26/h3,5-6,8-9,12-13,16-17,23-25H,4,7,10-11,14-15,18-21H2,1-2H3,(H,33,38)(H,34,40)(H,35,37)/t23-,24-,25+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222733
PNG
(CHEMBL393961 | cyclo(-L-Am7(S2Py)-Aib-L-Ser-D-Pro-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC1=O
Show InChI InChI=1S/C24H35N5O5S2/c1-24(2)23(34)27-17(15-30)22(33)29-13-8-10-18(29)21(32)26-16(20(31)28-24)9-4-3-7-14-35-36-19-11-5-6-12-25-19/h5-6,11-12,16-18,30H,3-4,7-10,13-15H2,1-2H3,(H,26,32)(H,27,34)(H,28,31)/t16-,17-,18+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
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 |w:8.7,2.1|
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 28n/an/an/an/a8.037



Kyushu Institute of Technology



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


Bioorg Med Chem 14: 3438-46 (2006)


Article DOI: 10.1016/j.bmc.2005.12.063
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
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 |w:8.7,2.1|
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 28n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase 6 prepared from mouse melanoma B16/BL6 cells


Bioorg Med Chem Lett 14: 2427-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.018
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50366966
PNG
(CHEMBL1790596)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCN(O)C=O)NC(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C29H43N5O7/c1-4-19(2)25-29(39)34-16-8-10-24(34)28(38)30-22(9-6-5-7-15-33(40)18-35)26(36)31-23(27(37)32-25)17-20-11-13-21(41-3)14-12-20/h11-14,18-19,22-25,40H,4-10,15-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)/t19-,22+,23-,24+,25+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase 6 prepared from mouse melanoma B16/BL6 cells


Bioorg Med Chem Lett 14: 2427-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.018
More data for this
Ligand-Target Pair
Histone deacetylase 6 (HDAC6)


(Mus musculus)
BDBM152480
PNG
(Z-L-Am7(AcEtMe)-QA (2))
Show SMILES COCCOCC(=O)SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1/C29H35N3O6S/c1-36-17-18-37-21-26(33)39-19-7-3-6-14-25(32-29(35)38-20-22-10-4-2-5-11-22)28(34)31-24-15-8-12-23-13-9-16-30-27(23)24/h2,4-5,8-13,15-16,25H,3,6-7,14,17-21H2,1H3,(H,31,34)(H,32,35)/t25-/s2
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n/an/a 29n/an/an/an/an/an/a



Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 無 of the enzyme fraction was added to 1 無 of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 無 of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19134
PNG
(CHEMBL213934 | tert-butyl N-[(1S)-1-(cyclopentylca...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C17H32N2O3S/c1-17(2,3)22-16(21)19-14(11-5-4-8-12-23)15(20)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1
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n/an/a 29n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222737
PNG
(CHEMBL238587 | cyclo(-L-Am7(S2Py)-Aib-L-Ala-D-Tic-...)
Show SMILES C[C@H]1CN2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CCCCCSSc2ccccn2)C(=O)NC(C)(C)C(=O)N1
Show InChI InChI=1S/C29H39N5O3S2/c1-20-18-34-19-22-12-7-6-11-21(22)17-24(34)27(36)32-23(26(35)33-29(2,3)28(37)31-20)13-5-4-10-16-38-39-25-14-8-9-15-30-25/h6-9,11-12,14-15,20,23-24H,4-5,10,13,16-19H2,1-3H3,(H,31,37)(H,32,36)(H,33,35)/t20-,23-,24+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19133
PNG
(tert-butyl N-[(1S)-1-(quinolin-3-ylcarbamoyl)-6-su...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)Nc1cnc2ccccc2c1 |r|
Show InChI InChI=1S/C21H29N3O3S/c1-21(2,3)27-20(26)24-18(11-5-4-8-12-28)19(25)23-16-13-15-9-6-7-10-17(15)22-14-16/h6-7,9-10,13-14,18,28H,4-5,8,11-12H2,1-3H3,(H,23,25)(H,24,26)/t18-/m0/s1
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n/an/a 32n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222726
PNG
(CHEMBL393260 | cyclo(-L-Am7(S2Py)-L-A1in-L-Ala-D-P...)
Show SMILES C[C@@H]1NC(=O)[C@]2(CCc3ccccc23)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H37N5O4S2/c1-20-28(38)35-18-9-13-24(35)27(37)33-23(12-3-2-8-19-40-41-25-14-6-7-17-31-25)26(36)34-30(29(39)32-20)16-15-21-10-4-5-11-22(21)30/h4-7,10-11,14,17,20,23-24H,2-3,8-9,12-13,15-16,18-19H2,1H3,(H,32,39)(H,33,37)(H,34,36)/t20-,23-,24+,30+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6 (HDAC6)


(Mus musculus)
BDBM152479
PNG
(Z-L-Am7(Ac)-QA (1))
Show SMILES CC(=O)SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1/C26H29N3O4S/c1-19(30)34-17-7-3-6-14-23(29-26(32)33-18-20-10-4-2-5-11-20)25(31)28-22-15-8-12-21-13-9-16-27-24(21)22/h2,4-5,8-13,15-16,23H,3,6-7,14,17-18H2,1H3,(H,28,31)(H,29,32)/t23-/s2
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n/an/a 34n/an/an/an/an/an/a



Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 無 of the enzyme fraction was added to 1 無 of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 無 of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222738
PNG
(CHEMBL391383 | cyclo(-L-Am7(S2Py)-Aib-L-Ph4-D-Pro-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCc2ccccc2)NC1=O
Show InChI InChI=1S/C31H41N5O4S2/c1-31(2)30(40)34-24(18-17-22-12-5-3-6-13-22)29(39)36-20-11-15-25(36)28(38)33-23(27(37)35-31)14-7-4-10-21-41-42-26-16-8-9-19-32-26/h3,5-6,8-9,12-13,16,19,23-25H,4,7,10-11,14-15,17-18,20-21H2,1-2H3,(H,33,38)(H,34,40)(H,35,37)/t23-,24-,25+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19135
PNG
(CHEMBL209551 | tert-butyl N-[(1S)-1-(cyclohexylcar...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r|
Show InChI InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
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n/an/a 36n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222732
PNG
((5S,11S,13aR)-5-benzyl-8,8-dimethyl-11-[5-(pyridin...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C30H39N5O4S2/c1-30(2)29(39)33-23(20-21-12-5-3-6-13-21)28(38)35-18-11-15-24(35)27(37)32-22(26(36)34-30)14-7-4-10-19-40-41-25-16-8-9-17-31-25/h3,5-6,8-9,12-13,16-17,22-24H,4,7,10-11,14-15,18-20H2,1-2H3,(H,32,37)(H,33,39)(H,34,36)/t22-,23-,24+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19131
PNG
(CHEMBL419758 | JMC505425 Compound 7 | N-(4-phenyl-...)
Show SMILES SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
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n/an/a 41n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222727
PNG
((5S,11S,13aR)-5,8,8-trimethyl-11-[5-(pyridin-2-yld...)
Show SMILES C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C24H35N5O4S2/c1-16-22(32)29-14-9-11-18(29)21(31)27-17(20(30)28-24(2,3)23(33)26-16)10-5-4-8-15-34-35-19-12-6-7-13-25-19/h6-7,12-13,16-18H,4-5,8-11,14-15H2,1-3H3,(H,26,33)(H,27,31)(H,28,30)/t16-,17-,18+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222729
PNG
(CHEMBL391384 | cyclo(-L-Am7(S2Py)-Aib-L-Ph5-D-Pro-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCc2ccccc2)NC1=O
Show InChI InChI=1S/C32H43N5O4S2/c1-32(2)31(41)35-25(17-11-15-23-13-5-3-6-14-23)30(40)37-21-12-18-26(37)29(39)34-24(28(38)36-32)16-7-4-10-22-42-43-27-19-8-9-20-33-27/h3,5-6,8-9,13-14,19-20,24-26H,4,7,10-12,15-18,21-22H2,1-2H3,(H,34,39)(H,35,41)(H,36,38)/t24-,25-,26+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6 (HDAC6)


(Mus musculus)
BDBM50200895
PNG
((S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(quinolin-...)
Show SMILES ONC(=O)CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 |r|
Show InChI InChI=1S/C25H28N4O5/c30-22(29-33)15-6-2-5-13-21(28-25(32)34-17-18-9-3-1-4-10-18)24(31)27-20-14-7-11-19-12-8-16-26-23(19)20/h1,3-4,7-12,14,16,21,33H,2,5-6,13,15,17H2,(H,27,31)(H,28,32)(H,29,30)/t21-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Kyushu Institute of Technology



Assay Description
For the enzyme assay, 10 無 of the enzyme fraction was added to 1 無 of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 無 of histone deacetylase...


Bioorg Chem 59: 145-50 (2015)


Article DOI: 10.1016/j.bioorg.2015.02.009
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19132
PNG
(tert-butyl N-[(1S)-1-[(3-phenylphenyl)carbamoyl]-6...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H32N2O3S/c1-24(2,3)29-23(28)26-21(15-8-5-9-16-30)22(27)25-20-14-10-13-19(17-20)18-11-6-4-7-12-18/h4,6-7,10-14,17,21,30H,5,8-9,15-16H2,1-3H3,(H,25,27)(H,26,28)/t21-/m0/s1
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n/an/a 54n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222730
PNG
(CHEMBL393464 | cyclo(-L-Am7(S2Py)-L-2MePhe-L-Ala-D...)
Show SMILES C[C@@H]1NC(=O)[C@](C)(Cc2ccccc2)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H39N5O4S2/c1-21-28(38)35-18-11-15-24(35)27(37)33-23(14-7-4-10-19-40-41-25-16-8-9-17-31-25)26(36)34-30(2,29(39)32-21)20-22-12-5-3-6-13-22/h3,5-6,8-9,12-13,16-17,21,23-24H,4,7,10-11,14-15,18-20H2,1-2H3,(H,32,39)(H,33,37)(H,34,36)/t21-,23-,24+,30-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
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 |r|
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 65n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader


Bioorg Med Chem 22: 3850-5 (2014)


Article DOI: 10.1016/j.bmc.2014.06.029
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19137
PNG
(tert-butyl N-[(1S)-1-(tert-butylcarbamoyl)-6-sulfa...)
Show SMILES CC(C)(C)NC(=O)[C@H](CCCCCS)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C16H32N2O3S/c1-15(2,3)18-13(19)12(10-8-7-9-11-22)17-14(20)21-16(4,5)6/h12,22H,7-11H2,1-6H3,(H,17,20)(H,18,19)/t12-/m0/s1
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n/an/a 71n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222731
PNG
(CHEMBL393261 | cyclo(-L-Am7(S2Py)-D-2MePhe-L-Ala-D...)
Show SMILES C[C@@H]1NC(=O)[C@@](C)(Cc2ccccc2)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C30H39N5O4S2/c1-21-28(38)35-18-11-15-24(35)27(37)33-23(14-7-4-10-19-40-41-25-16-8-9-17-31-25)26(36)34-30(2,29(39)32-21)20-22-12-5-3-6-13-22/h3,5-6,8-9,12-13,16-17,21,23-24H,4,7,10-11,14-15,18-20H2,1-2H3,(H,32,39)(H,33,37)(H,34,36)/t21-,23-,24+,30+/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19148
PNG
(benzyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanyl...)
Show SMILES SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C20H30N2O3S/c23-19(21-17-11-6-7-12-17)18(13-5-2-8-14-26)22-20(24)25-15-16-9-3-1-4-10-16/h1,3-4,9-10,17-18,26H,2,5-8,11-15H2,(H,21,23)(H,22,24)/t18-/m0/s1
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n/an/a 78n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
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 |w:8.7,2.1|
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 81n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19138
PNG
(tert-butyl N-[(1S)-1-(adamantan-1-ylcarbamoyl)-6-s...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:26:20.19.25,25:20:27:24.26.23,25:24:27:20.19.21,THB:21:20:26:22.27.23|
Show InChI InChI=1S/C22H38N2O3S/c1-21(2,3)27-20(26)23-18(7-5-4-6-8-28)19(25)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h15-18,28H,4-14H2,1-3H3,(H,23,26)(H,24,25)/t15?,16?,17?,18-,22?/m0/s1
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n/an/a 82n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50048862
PNG
(CHEMBL3310510)
Show SMILES [H][C@]12CCCN1C(=O)[C@@H](NC(=O)[C@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1)C(C)C |r|
Show InChI InChI=1/C24H40N4O4S2/c1-16(2)20-24(32)28-13-9-12-19(28)23(31)26-17-10-5-3-7-14-33-34-15-8-4-6-11-18(22(30)27-20)25-21(17)29/h16-20H,3-15H2,1-2H3,(H,25,29)(H,26,31)(H,27,30)/t17-,18-,19+,20-/s2
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n/an/a 83n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...


Bioorg Med Chem 22: 3850-5 (2014)


Article DOI: 10.1016/j.bmc.2014.06.029
More data for this
Ligand-Target Pair
Histone deacetylase


(Mus musculus-Mus musculus (Mouse))
BDBM50366962
PNG
(CHEMBL1790586)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCN(O)C=O)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C30H45N5O7/c1-4-20(2)26-30(40)35-17-9-7-11-25(35)29(39)31-23(10-6-5-8-16-34(41)19-36)27(37)32-24(28(38)33-26)18-21-12-14-22(42-3)15-13-21/h12-15,19-20,23-26,41H,4-11,16-18H2,1-3H3,(H,31,39)(H,32,37)(H,33,38)/t20-,23+,24-,25-,26+/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2427-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.018
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50222734
PNG
(CHEMBL428737 | cyclo(-L-Am7(S2Py)-Aib-L-Phg-D-Pro-...)
Show SMILES CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC1=O)c1ccccc1
Show InChI InChI=1S/C29H37N5O4S2/c1-29(2)28(38)32-24(20-12-5-3-6-13-20)27(37)34-18-11-15-22(34)26(36)31-21(25(35)33-29)14-7-4-10-19-39-40-23-16-8-9-17-30-23/h3,5-6,8-9,12-13,16-17,21-22,24H,4,7,10-11,14-15,18-19H2,1-2H3,(H,31,36)(H,32,38)(H,33,35)/t21-,22+,24-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Graduate School of Life Science and Systems Engineering

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in 293T cells


Bioorg Med Chem 15: 7830-9 (2007)


Article DOI: 10.1016/j.bmc.2007.08.041
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50048858
PNG
(CHEMBL3310506)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r|
Show InChI InChI=1/C22H36N4O4S2/c1-15-22(30)26-12-8-11-18(26)21(29)25-17-10-5-3-7-14-32-31-13-6-2-4-9-16(19(27)23-15)24-20(17)28/h15-18H,2-14H2,1H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-,18+/s2
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n/an/a>100n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader


Bioorg Med Chem 22: 3850-5 (2014)


Article DOI: 10.1016/j.bmc.2014.06.029
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19144
PNG
((2S)-2-[(tert-butylcarbamoyl)amino]-N-cyclopentyl-...)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C17H33N3O2S/c1-17(2,3)20-16(22)19-14(11-5-4-8-12-23)15(21)18-13-9-6-7-10-13/h13-14,23H,4-12H2,1-3H3,(H,18,21)(H2,19,20,22)/t14-/m0/s1
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n/an/a 100n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19146
PNG
(methyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulfanyl...)
Show SMILES COC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C14H26N2O3S/c1-19-14(18)16-12(9-3-2-6-10-20)13(17)15-11-7-4-5-8-11/h11-12,20H,2-10H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 120n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19147
PNG
(cyclohexyl N-[(1S)-1-(cyclopentylcarbamoyl)-6-sulf...)
Show SMILES SCCCCC[C@H](NC(=O)OC1CCCCC1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H34N2O3S/c22-18(20-15-9-6-7-10-15)17(13-5-2-8-14-25)21-19(23)24-16-11-3-1-4-12-16/h15-17,25H,1-14H2,(H,20,22)(H,21,23)/t17-/m0/s1
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n/an/a 120n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50051035
PNG
(CHEMBL3309858)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O |r|
Show InChI InChI=1/C27H47N5O6/c1-3-5-8-13-19-25(35)30-21(15-9-6-4-2)27(37)32-18-12-16-22(32)26(36)29-20(24(34)28-19)14-10-7-11-17-23(33)31-38/h19-22,38H,3-18H2,1-2H3,(H,28,34)(H,29,36)(H,30,35)(H,31,33)/t19-,20-,21-,22+/s2
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n/an/a 140n/an/an/an/an/an/a



University of Rajshahi

Curated by ChEMBL


Assay Description
Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP...


Bioorg Med Chem 22: 3862-70 (2014)


Article DOI: 10.1016/j.bmc.2014.06.031
More data for this
Ligand-Target Pair
Histone deacetylase


(Mus musculus-Mus musculus (Mouse))
BDBM50221734
PNG
(CHEMBL1790590)
Show SMILES [H][C@@]12CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCN(O)C=O)NC2=O)[C@H](C)CC
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n/an/a 141n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2427-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.018
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19142
PNG
((2S)-N-cyclopentyl-2-(2-hydroxyacetamido)-7-sulfan...)
Show SMILES OCC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C14H26N2O3S/c17-10-13(18)16-12(8-2-1-5-9-20)14(19)15-11-6-3-4-7-11/h11-12,17,20H,1-10H2,(H,15,19)(H,16,18)/t12-/m0/s1
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n/an/a 150n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19145
PNG
((2S)-2-[(tert-butylcarbamothioyl)amino]-N-cyclopen...)
Show SMILES CC(C)(C)NC(=S)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C17H33N3OS2/c1-17(2,3)20-16(23)19-14(11-5-4-8-12-22)15(21)18-13-9-6-7-10-13/h13-14,22H,4-12H2,1-3H3,(H,18,21)(H2,19,20,23)/t14-/m0/s1
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n/an/a 170n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Mus musculus)
BDBM50366961
PNG
(CHEMBL1790599)
Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCN(O)C=O)NC(=O)[C@H]2CCCN2C1=O
Show InChI InChI=1S/C29H43N5O7/c1-4-19(2)25-29(39)34-16-8-10-24(34)28(38)30-22(9-6-5-7-15-33(40)18-35)26(36)31-23(27(37)32-25)17-20-11-13-21(41-3)14-12-20/h11-14,18-19,22-25,40H,4-10,15-17H2,1-3H3,(H,30,38)(H,31,36)(H,32,37)/t19-,22+,23-,24-,25+/m1/s1
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n/an/a 178n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase 6 prepared from mouse melanoma B16/BL6 cells


Bioorg Med Chem Lett 14: 2427-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.018
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
BDBM19140
PNG
((2S)-N-cyclopentyl-2-(phenylformamido)-7-sulfanylh...)
Show SMILES SCCCCC[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCC1 |r|
Show InChI InChI=1S/C19H28N2O2S/c22-18(15-9-3-1-4-10-15)21-17(13-5-2-8-14-24)19(23)20-16-11-6-7-12-16/h1,3-4,9-10,16-17,24H,2,5-8,11-14H2,(H,20,23)(H,21,22)/t17-/m0/s1
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n/an/a 190n/an/an/an/a8.037



Nagoya City University



Assay Description
The enzyme activity was assayed using recombinant HDAC and [3H] acetyl-labeled histones as substrate. The released [3H]acetic acid was extracted and ...


J Med Chem 50: 5425-38 (2007)


Article DOI: 10.1021/jm7009217
More data for this
Ligand-Target Pair
Histone Deacetylase 6 (HDAC6)


(Mus musculus)
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 196n/an/an/an/a8.037



University of Southampton



Assay Description
For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...


J Med Chem 50: 5720-5726 (2007)


Article DOI: 10.1021/jm0703800
More data for this
Ligand-Target Pair
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