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SMILES: ONC(=O)c1ccc(CN2c3ccc(Cl)cc3CCCC2=O)cc1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50571517   
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 6


(Homo sapiens (Human))
BDBM50571517
PNG
(CHEMBL4846714)
Show SMILES ONC(=O)c1ccc(CN2c3ccc(Cl)cc3CCCC2=O)cc1
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 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50571517
PNG
(CHEMBL4846714)
Show SMILES ONC(=O)c1ccc(CN2c3ccc(Cl)cc3CCCC2=O)cc1
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 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50571517
PNG
(CHEMBL4846714)
Show SMILES ONC(=O)c1ccc(CN2c3ccc(Cl)cc3CCCC2=O)cc1
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 126n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human HDAC1 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02210
BindingDB Entry DOI: 10.7270/Q2222ZJF
More data for this
Ligand-Target Pair