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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
Contribute data
Sent Comments
null
SMILES:
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
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 = 50600343
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
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human))
BDBM50600343
(CHEMBL5196338)
Show SMILES
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
70
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116743
BindingDB Entry DOI:
10.7270/Q2BP06V9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50600343
(CHEMBL5196338)
Show SMILES
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116743
BindingDB Entry DOI:
10.7270/Q2BP06V9
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha
(Homo sapiens (Human))
BDBM50600343
(CHEMBL5196338)
Show SMILES
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116743
BindingDB Entry DOI:
10.7270/Q2BP06V9
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human))
BDBM50600343
(CHEMBL5196338)
Show SMILES
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116743
BindingDB Entry DOI:
10.7270/Q2BP06V9
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha
(Homo sapiens (Human))
BDBM50600343
(CHEMBL5196338)
Show SMILES
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116743
BindingDB Entry DOI:
10.7270/Q2BP06V9
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha
(Homo sapiens (Human))
BDBM50600343
(CHEMBL5196338)
Show SMILES
O=c1ccc2cc(Oc3ccc(cc3)C#N)ccc2n1CCN1CCCCC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.28E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2022.116743
BindingDB Entry DOI:
10.7270/Q2BP06V9
More data for this
Ligand-Target Pair
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