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BDBM50297447 3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacrylamide::CHEMBL564382::ST-2887

SMILES: ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

InChI Key: InChIKey=WOXWAGCBPDSRPN-SDNWHVSQSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50297447   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 3.90E+3n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 440n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 410n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 4.20E+3n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 730n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 4.70E+3n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50297447
PNG
(3-(4-(di(1H-indol-3-yl)methyl)phenyl)-N-hydroxyacr...)
Show SMILES ONC(=O)\C=C\c1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C26H21N3O2/c30-25(29-31)14-11-17-9-12-18(13-10-17)26(21-15-27-23-7-3-1-5-19(21)23)22-16-28-24-8-4-2-6-20(22)24/h1-16,26-28,31H,(H,29,30)/b14-11+
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sigma-Tau Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluroimetry


Bioorg Med Chem Lett 19: 2840-3 (2009)

Checked by Author
Article DOI: 10.1016/j.bmcl.2009.03.101
BindingDB Entry DOI: 10.7270/Q2PN95PT
More data for this
Ligand-Target Pair