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SMILES: ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1

InChI Key:

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 5 hits for monomerid = 50581294   
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


(Homo sapiens (Human))
BDBM50581294
PNG
(CHEMBL5076638)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HDAC using human HeLa cell nuclear extract measured after 60 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00821
BindingDB Entry DOI: 10.7270/Q2RV0SK6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50581294
PNG
(CHEMBL5076638)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC1 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00821
BindingDB Entry DOI: 10.7270/Q2RV0SK6
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50581294
PNG
(CHEMBL5076638)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC6 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00821
BindingDB Entry DOI: 10.7270/Q2RV0SK6
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50581294
PNG
(CHEMBL5076638)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC3 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00821
BindingDB Entry DOI: 10.7270/Q2RV0SK6
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50581294
PNG
(CHEMBL5076638)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)NC1CCNCC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant HDAC2 using Tosyl-Gly-ProLys(Ac)-AMC as substrate measured after 60 mins by fluorescence assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00821
BindingDB Entry DOI: 10.7270/Q2RV0SK6
More data for this
Ligand-Target Pair