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Target
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Compile Data Set for Download or QSAR
Found
5
hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50583624'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50583624
(CHEMBL5075135)
Show SMILES
ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.700
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to human HDAC6 by jump dilution assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01922
BindingDB Entry DOI:
10.7270/Q2NC6530
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50583624
(CHEMBL5075135)
Show SMILES
ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of full length human HDAC6 using FAM-labeled acetylated peptide as substrate by electrophoretic mobility shift assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01922
BindingDB Entry DOI:
10.7270/Q2NC6530
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50583624
(CHEMBL5075135)
Show SMILES
ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of full length human HDAC6 preincubated for 3 hrs by mass spectrometry analysis
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01922
BindingDB Entry DOI:
10.7270/Q2NC6530
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50583624
(CHEMBL5075135)
Show SMILES
ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of full length human HDAC6 using FAM-labeled acetylated peptide as substrate without preincubation by mass spectrometry analysis
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01922
BindingDB Entry DOI:
10.7270/Q2NC6530
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50583624
(CHEMBL5075135)
Show SMILES
ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HDAC6 (unknown origin) by fluorescence polarization assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.0c01922
BindingDB Entry DOI:
10.7270/Q2NC6530
More data for this
Ligand-Target Pair
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