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Target
Sequence
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IC50
Kd
EC50
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ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
CCC(=O)CCCCC[C@@H]1NC(=O)CN(C)CCCCOCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2
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 = 50568216
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
Histone deacetylase 1
(Homo sapiens (Human))
BDBM50568216
(CHEMBL4849063)
Show SMILES
CCC(=O)CCCCC[C@@H]1NC(=O)CN(C)CCCCOCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r|
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
28
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HDAC1 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128168
BindingDB Entry DOI:
10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
Histone deacetylase 2
(Homo sapiens (Human))
BDBM50568216
(CHEMBL4849063)
Show SMILES
CCC(=O)CCCCC[C@@H]1NC(=O)CN(C)CCCCOCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r|
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
595
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HDAC2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128168
BindingDB Entry DOI:
10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
Histone deacetylase 8
(Homo sapiens (Human))
BDBM50568216
(CHEMBL4849063)
Show SMILES
CCC(=O)CCCCC[C@@H]1NC(=O)CN(C)CCCCOCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r|
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
>900
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HDAC8 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128168
BindingDB Entry DOI:
10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
Histone deacetylase 6
(Homo sapiens (Human))
BDBM50568216
(CHEMBL4849063)
Show SMILES
CCC(=O)CCCCC[C@@H]1NC(=O)CN(C)CCCCOCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r|
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
>900
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HDAC6 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128168
BindingDB Entry DOI:
10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
Histone deacetylase 3
(Homo sapiens (Human))
BDBM50568216
(CHEMBL4849063)
Show SMILES
CCC(=O)CCCCC[C@@H]1NC(=O)CN(C)CCCCOCCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r|
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
247
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HDAC3 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128168
BindingDB Entry DOI:
10.7270/Q2QR51V7
More data for this
Ligand-Target Pair
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