BindingDB logo
myBDB logout

BDBM50297445 CHEMBL561483::N-hydroxy-7,7-bis(7-methoxy-1H-indol-3-yl)heptanamide

SMILES: COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12

InChI Key: InChIKey=FSLXJUDEBBIVKO-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50297445   
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))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/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))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/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))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 220n/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 10


(Homo sapiens (Human))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/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))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/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
Histone deacetylase 7


(Homo sapiens (Human))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/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))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/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))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/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 5


(Homo sapiens (Human))
BDBM50297445
PNG
(CHEMBL561483 | N-hydroxy-7,7-bis(7-methoxy-1H-indo...)
Show SMILES COc1cccc2c(c[nH]c12)C(CCCCCC(=O)NO)c1c[nH]c2c(OC)cccc12
Show InChI InChI=1S/C25H29N3O4/c1-31-21-11-6-9-17-19(14-26-24(17)21)16(8-4-3-5-13-23(29)28-30)20-15-27-25-18(20)10-7-12-22(25)32-2/h6-7,9-12,14-16,26-27,30H,3-5,8,13H2,1-2H3,(H,28,29)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 311n/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