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SMILES: CN1CCC=C(C1)C1SCC(=O)N1c1ccc(C)cc1[N+]([O-])=O

InChI Key: InChIKey=CPGGZLPXALXTDJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50300566   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50300566
PNG
(3-(4-methyl-2-nitro-phenyl)-2-(1-methyl-1,2,5,6-te...)
Show SMILES CN1CCC=C(C1)C1SCC(=O)N1c1ccc(C)cc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C16H19N3O3S/c1-11-5-6-13(14(8-11)19(21)22)18-15(20)10-23-16(18)12-4-3-7-17(2)9-12/h4-6,8,16H,3,7,9-10H2,1-2H3
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.25E+5n/an/an/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex membrane after 2 hrs by liquid scintillation counting


Eur J Med Chem 44: 4848-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.026
BindingDB Entry DOI: 10.7270/Q23X86QS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50300566
PNG
(3-(4-methyl-2-nitro-phenyl)-2-(1-methyl-1,2,5,6-te...)
Show SMILES CN1CCC=C(C1)C1SCC(=O)N1c1ccc(C)cc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C16H19N3O3S/c1-11-5-6-13(14(8-11)19(21)22)18-15(20)10-23-16(18)12-4-3-7-17(2)9-12/h4-6,8,16H,3,7,9-10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.26E+5n/an/an/an/an/an/a



University of Mysore

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from muscarinic M1 receptor in Wistar rat brain cortex membrane after 2 hrs by liquid scintillation counting


Eur J Med Chem 44: 4848-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.026
BindingDB Entry DOI: 10.7270/Q23X86QS
More data for this
Ligand-Target Pair