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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
Kd
EC50
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null
SMILES:
CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O
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
6
hits for monomerid = 50551227
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Heat shock protein HSP 90-alpha
(Homo sapiens (Human))
BDBM50551227
(CHEMBL4782478)
Show SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
66
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HSP90a (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112086
BindingDB Entry DOI:
10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase
(Homo sapiens (Human))
BDBM50551227
(CHEMBL4782478)
Show SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O
Show InChI
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/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using fluorescence substrate incubated for 30 mins by fluorescence based assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112086
BindingDB Entry DOI:
10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 8
(Homo sapiens (Human))
BDBM50551227
(CHEMBL4782478)
Show SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
420
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human HDAC8 using RHK-K(Ac)-AMC as substrate by fluorescence based assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112086
BindingDB Entry DOI:
10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 3
(Homo sapiens (Human))
BDBM50551227
(CHEMBL4782478)
Show SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
9.85E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human HDAC3 using RHK-K(Ac)-AMC as substrate by fluorescence based assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112086
BindingDB Entry DOI:
10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50551227
(CHEMBL4782478)
Show SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
33
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human HDAC6 using RHK-K(Ac)-AMC as substrate by fluorescence based assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112086
BindingDB Entry DOI:
10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50551227
(CHEMBL4782478)
Show SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(NCc4ccc(cc4)C(=O)NO)cc3C2)c(O)cc1O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as substrate incubat...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112086
BindingDB Entry DOI:
10.7270/Q2HX1H96
More data for this
Ligand-Target Pair
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