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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 5' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 5


(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 3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC4) prepared from mouse melanoma B16/BL6 cells


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

More data for this
Ligand-Target Pair
Histone deacetylase 5


(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
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 20n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC4) prepared from mouse melanoma B16/BL6 cells


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

More data for this
Ligand-Target Pair
Histone deacetylase 5


(Mus musculus)
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 74n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC4) prepared from mouse melanoma B16/BL6 cells


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

More data for this
Ligand-Target Pair
Histone deacetylase 5


(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 89n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC4) prepared from mouse melanoma B16/BL6 cells


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

More data for this
Ligand-Target Pair
Histone deacetylase 5


(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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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC4) prepared from mouse melanoma B16/BL6 cells


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

More data for this
Ligand-Target Pair