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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 166.2
BDBM50471773
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
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
Muscarinic acetylcholine receptor M3
(RAT)
BDBM50471773
(CHEMBL111120)
Show SMILES
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]C#C
Show InChI
InChI=1S/C9H14N2O/c1-3-8-12-10-9-4-6-11(2)7-5-9/h1H,4-8H2,2H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.99E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
National University of Singapore
Curated by
ChEMBL
Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...
J Med Chem
41:
3220
-
31
(1998)
Article DOI:
10.1021/jm9708588
BindingDB Entry DOI:
10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2
(RAT)
BDBM50471773
(CHEMBL111120)
Show SMILES
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]C#C
Show InChI
InChI=1S/C9H14N2O/c1-3-8-12-10-9-4-6-11(2)7-5-9/h1H,4-8H2,2H3
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.51E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
National University of Singapore
Curated by
ChEMBL
Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart
J Med Chem
41:
3220
-
31
(1998)
Article DOI:
10.1021/jm9708588
BindingDB Entry DOI:
10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1
(RAT)
BDBM50471773
(CHEMBL111120)
Show SMILES
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]C#C
Show InChI
InChI=1S/C9H14N2O/c1-3-8-12-10-9-4-6-11(2)7-5-9/h1H,4-8H2,2H3
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
5.01E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
National University of Singapore
Curated by
ChEMBL
Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex
J Med Chem
41:
3220
-
31
(1998)
Article DOI:
10.1021/jm9708588
BindingDB Entry DOI:
10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair