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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'lola' and Initial = 'd'   
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
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM50007906
PNG
(Meldonium)
Show SMILES C[N+](C)(C)NCCC([O-])=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3
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PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of BBOX (unknown origin)


J Med Chem 57: 2213-36 (2014)


Article DOI: 10.1021/jm401603e
BindingDB Entry DOI: 10.7270/Q22N53TP
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 0.800n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 1.20n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 1.60n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 2.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 2.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 2.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 2.80n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50268097
PNG
(6-{[2-(9H-Fluoren-9-yliden)acetyl]amino}-N-hydroxy...)
Show SMILES [#8]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C21H22N2O3/c24-20(23-26)12-2-1-7-13-22-21(25)14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,14,26H,1-2,7,12-13H2,(H,22,25)(H,23,24)
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n/an/a 2.80n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 2.90n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.10n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 3.20n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 3.40n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 3.70n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 3.90n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 4.20n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 4.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 4.40n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 4.90n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50268042
PNG
((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...)
Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO
Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+
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n/an/a 5.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 5.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50268121
PNG
((E)-3-(4-Chloro-2-fluorophenyl)-N-[6-(hydroxyamino...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc(Cl)cc1F
Show InChI InChI=1S/C15H18ClFN2O3/c16-12-7-5-11(13(17)10-12)6-8-14(20)18-9-3-1-2-4-15(21)19-22/h5-8,10,22H,1-4,9H2,(H,18,20)(H,19,21)/b8-6+
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n/an/a 6.30n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 6.70n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50268063
PNG
((E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-(7-quinoliny...)
Show SMILES ONC(=O)CCCCCNC(=O)\C=C\c1ccc2cccnc2c1
Show InChI InChI=1S/C18H21N3O3/c22-17(20-11-3-1-2-6-18(23)21-24)10-8-14-7-9-15-5-4-12-19-16(15)13-14/h4-5,7-10,12-13,24H,1-3,6,11H2,(H,20,22)(H,21,23)/b10-8+
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n/an/a 7.60n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286774
PNG
(CHEMBL4163140)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccncc1 |r|
Show InChI InChI=1S/C17H21N3O3S/c1-12(2)10-16(18)17(21)20-24(22,23)15-5-3-4-14(11-15)13-6-8-19-9-7-13/h3-9,11-12,16H,10,18H2,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286767
PNG
(CHEMBL4172643)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)c1 |r|
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)8-15(18)17(22)21-25(23,24)14-5-3-4-12(9-14)13-6-7-20-16(19)10-13/h3-7,9-11,15H,8,18H2,1-2H3,(H2,19,20)(H,21,22)/t15-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286765
PNG
(CHEMBL4159778)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cccc(N)n1 |r|
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)9-14(18)17(22)21-25(23,24)13-6-3-5-12(10-13)15-7-4-8-16(19)20-15/h3-8,10-11,14H,9,18H2,1-2H3,(H2,19,20)(H,21,22)/t14-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286770
PNG
(CHEMBL4171058)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H22N2O3S/c1-13(2)11-17(19)18(21)20-24(22,23)16-10-6-9-15(12-16)14-7-4-3-5-8-14/h3-10,12-13,17H,11,19H2,1-2H3,(H,20,21)/t17-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50286775
PNG
(CHEMBL4174152)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H25N5O3S/c1-14(2)11-18(23)21(28)27-31(29,30)17-10-6-9-16(12-17)20-13-19(25-22(24)26-20)15-7-4-3-5-8-15/h3-10,12-14,18H,11,23H2,1-2H3,(H,27,28)(H2,24,25,26)/t18-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286772
PNG
(CHEMBL4160841)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C12H18N2O3S/c1-9(2)8-11(13)12(15)14-18(16,17)10-6-4-3-5-7-10/h3-7,9,11H,8,13H2,1-2H3,(H,14,15)/t11-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286766
PNG
(CHEMBL4163450)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)nc(N)n1 |r|
Show InChI InChI=1S/C17H23N5O3S/c1-10(2)7-14(18)16(23)22-26(24,25)13-6-4-5-12(9-13)15-8-11(3)20-17(19)21-15/h4-6,8-10,14H,7,18H2,1-3H3,(H,22,23)(H2,19,20,21)/t14-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286771
PNG
(CHEMBL4167692)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)ncn1 |r|
Show InChI InChI=1S/C17H22N4O3S/c1-11(2)7-15(18)17(22)21-25(23,24)14-6-4-5-13(9-14)16-8-12(3)19-10-20-16/h4-6,8-11,15H,7,18H2,1-3H3,(H,21,22)/t15-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286769
PNG
(CHEMBL4161986)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)n1 |r|
Show InChI InChI=1S/C16H21N5O3S/c1-10(2)8-13(17)15(22)21-25(23,24)12-5-3-4-11(9-12)14-6-7-19-16(18)20-14/h3-7,9-10,13H,8,17H2,1-2H3,(H,21,22)(H2,18,19,20)/t13-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Leucine--tRNA ligase


(Escherichia coli (strain K12))
BDBM50286768
PNG
(CHEMBL4171458)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C16H20N2O3S/c1-11(2)9-15(17)16(19)18-22(20,21)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)/t15-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli LeuRS expressed in Escherichia coli M15 cells assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 67n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 68n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM50008027
PNG
(CHEMBL3234384)
Show SMILES CN(CCC([O-])=O)[N+](C)(C)C
Show InChI InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3
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n/an/a 90n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


J Med Chem 57: 2213-36 (2014)


Article DOI: 10.1021/jm401603e
BindingDB Entry DOI: 10.7270/Q22N53TP
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens (Human))
BDBM50007999
PNG
(CHEMBL3234371)
Show SMILES [Cl-].C[N+](C)(C)CCCP(O)(O)=O
Show InChI InChI=1S/C6H16NO3P.ClH/c1-7(2,3)5-4-6-11(8,9)10;/h4-6H2,1-3H3,(H-,8,9,10);1H
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n/an/a 100n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


J Med Chem 57: 2213-36 (2014)


Article DOI: 10.1021/jm401603e
BindingDB Entry DOI: 10.7270/Q22N53TP
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 101n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 102n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 9


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 107n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 107n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
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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n/an/a 111n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50286766
PNG
(CHEMBL4163450)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(C)nc(N)n1 |r|
Show InChI InChI=1S/C17H23N5O3S/c1-10(2)7-14(18)16(23)22-26(24,25)13-6-4-5-12(9-13)15-8-11(3)20-17(19)21-15/h4-6,8-10,14H,7,18H2,1-3H3,(H,22,23)(H2,19,20,21)/t14-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Oxford Drug Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human LeuRS assessed as reduction in ATP consumption


ACS Med Chem Lett 9: 84-88 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00374
BindingDB Entry DOI: 10.7270/Q2BZ68KK
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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n/an/a 164n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2


Eur J Med Chem 44: 1067-85 (2009)


Article DOI: 10.1016/j.ejmech.2008.06.020
BindingDB Entry DOI: 10.7270/Q2BG2NTX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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