BindingDB logo
myBDB logout

null

SMILES: ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O

InChI Key: InChIKey=WCTLKUHJSQSAOJ-UHFFFAOYSA-N

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 = 50333085   
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 5


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 878n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 738n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC7 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.57E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 176n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 564n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC11 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 687n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Polyamine deacetylase HDAC10


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 683n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50333085
PNG
((R/S)-6-(6-Oxo-6,7,10,11,12,13-hexahydro-5H,9H-8,1...)
Show SMILES ONC(=O)CCCCCC1OCCCCCCOc2ccccc2NC1=O
Show InChI InChI=1S/C20H30N2O5/c23-19(22-25)13-5-3-4-12-18-20(24)21-16-10-6-7-11-17(16)26-14-8-1-2-9-15-27-18/h6-7,10-11,18,25H,1-5,8-9,12-15H2,(H,21,24)(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 by fluorimetric assay

J Med Chem 53: 8387-8399 (2010)


Article DOI: 10.1021/jm101092u
BindingDB Entry DOI: 10.7270/Q28G8KZJ
More data for this
Ligand-Target Pair