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BDBM50297444 CHEMBL564876::N-hydroxy-7,7-di(1H-indol-3-yl)heptanamide::ST-2741

SMILES: ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

InChI Key: InChIKey=ZWBFOQJCRGCPED-UHFFFAOYSA-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 = 50297444   
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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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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 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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 2.00E+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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 350n/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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 1.30E+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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 590n/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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 430n/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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 530n/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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 240n/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))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 640n/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 (HDAC10)


(Homo sapiens (Human))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 870n/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
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50297444
PNG
(CHEMBL564876 | N-hydroxy-7,7-di(1H-indol-3-yl)hept...)
Show SMILES ONC(=O)CCCCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H25N3O2/c27-23(26-28)13-3-1-2-8-16(19-14-24-21-11-6-4-9-17(19)21)20-15-25-22-12-7-5-10-18(20)22/h4-7,9-12,14-16,24-25,28H,1-3,8,13H2,(H,26,27)
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n/an/a 6n/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