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BDBM50429527 CHEMBL2333344

SMILES: ONC(=O)C1=CCCCC1

InChI Key: InChIKey=NMUKJRPCVOESRU-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50429527   
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 4


(Homo sapiens (Human))
BDBM50429527
PNG
(CHEMBL2333344)
Show SMILES ONC(=O)C1=CCCCC1 |t:4|
Show InChI InChI=1S/C7H11NO2/c9-7(8-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 9.13E+3n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50429527
PNG
(CHEMBL2333344)
Show SMILES ONC(=O)C1=CCCCC1 |t:4|
Show InChI InChI=1S/C7H11NO2/c9-7(8-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50429527
PNG
(CHEMBL2333344)
Show SMILES ONC(=O)C1=CCCCC1 |t:4|
Show InChI InChI=1S/C7H11NO2/c9-7(8-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 431n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50429527
PNG
(CHEMBL2333344)
Show SMILES ONC(=O)C1=CCCCC1 |t:4|
Show InChI InChI=1S/C7H11NO2/c9-7(8-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/a25



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) assessed as fluorescence intensity measured after 60 mins incubation at room temperature by trypsin-free microfl...


J Med Chem 56: 1772-6 (2013)


Article DOI: 10.1021/jm301355j
BindingDB Entry DOI: 10.7270/Q2XK8GWB
More data for this
Ligand-Target Pair