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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
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 = 50597506
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human))
BDBM50597506
(CHEMBL5190813)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
6.60
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human))
BDBM50597506
(CHEMBL5190813)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
77
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human))
BDBM50597506
(CHEMBL5190813)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
94
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor; alpha9/alpha10
(Homo sapiens (Human))
BDBM50597506
(CHEMBL5190813)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human))
BDBM50597506
(CHEMBL5190813)
Show SMILES
[I-].C[N+]1(CCOc2ccc(\C=C\c3ccccc3)cc2)CCCC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00746
BindingDB Entry DOI:
10.7270/Q2J96BDG
More data for this
Ligand-Target Pair
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