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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Nicotinic acetylcholine receptor' and Ligand = 'BDBM10759'
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
Nicotinic acetylcholine receptor
(RAT)
BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES
CC(=O)OCC[N+](C)(C)C
Show InChI
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
UniProtKB/TrEMBL
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Purchase
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
National Institute on Drug Abuse
Curated by
PDSP K
i
Database
Mol Pharmacol
57:
642
-
9
(2000)
Article DOI:
10.1124/mol.57.3.642
BindingDB Entry DOI:
10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor
(RAT)
BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES
CC(=O)OCC[N+](C)(C)C
Show InChI
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
UniProtKB/TrEMBL
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
32.8
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Georgetown University
Curated by
PDSP K
i
Database
Mol Pharmacol
54:
322
-
33
(1998)
Article DOI:
10.1124/mol.54.2.322
BindingDB Entry DOI:
10.7270/Q2ZW1JGJ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor
(RAT)
BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES
CC(=O)OCC[N+](C)(C)C
Show InChI
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
UniProtKB/TrEMBL
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
45
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Georgetown University
Curated by
PDSP K
i
Database
J Pharmacol Exp Ther
310:
98
-
107
(2004)
Article DOI:
10.1124/jpet.104.066787
BindingDB Entry DOI:
10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor
(RAT)
BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES
CC(=O)OCC[N+](C)(C)C
Show InChI
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
UniProtKB/TrEMBL
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
PubMed
47.3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Georgetown University
Curated by
PDSP K
i
Database
Mol Pharmacol
48:
280
-
7
(1995)
BindingDB Entry DOI:
10.7270/Q2280648
More data for this
Ligand-Target Pair