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BDBM50427126 CHEMBL2323443

SMILES: CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1[N+]([O-])=O

InChI Key: InChIKey=FSGYKLAGSGORJN-RNWOVNCYNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50427126   
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 M3


(RAT)
BDBM50427126
PNG
(CHEMBL2323443)
Show SMILES CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1/C17H20N2O6/c1-10(20)24-16-8-11-7-12(9-15(16)18(11)2)25-17(21)13-5-3-4-6-14(13)19(22)23/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12-,15-,16+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60E+4n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M3 receptor in Sprague-Dawley rat submandibulary gland after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50427126
PNG
(CHEMBL2323443)
Show SMILES CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1/C17H20N2O6/c1-10(20)24-16-8-11-7-12(9-15(16)18(11)2)25-17(21)13-5-3-4-6-14(13)19(22)23/h3-6,11-12,15-16H,7-9H2,1-2H3/t11-,12-,15-,16+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.40E+4n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic M2 receptor in Sprague-Dawley rat left atria after 60 mins


Bioorg Med Chem 21: 1234-9 (2013)


Article DOI: 10.1016/j.bmc.2012.12.052
BindingDB Entry DOI: 10.7270/Q2DF6SHB
More data for this
Ligand-Target Pair