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BDBM50296327 (3R)-1-Heptyl-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-azoniabicyclo[2.2.2]octane bromide::CHEMBL549784

SMILES: [Br-].CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1

InChI Key: InChIKey=OEKSMYDGWZJQDC-VQRHYKMASA-M

Data: 3 IC50

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 3 hits for monomerid = 50296327   
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


(Homo sapiens (Human))
BDBM50296327
PNG
((3R)-1-Heptyl-3-{[hydroxy(di-2-thienyl)acetyl]oxy}...)
Show SMILES [Br-].CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C24H34NO3S2.BrH/c1-2-3-4-5-6-13-25-14-11-19(12-15-25)20(18-25)28-23(26)24(27,21-9-7-16-29-21)22-10-8-17-30-22;/h7-10,16-17,19-20,27H,2-6,11-15,18H2,1H3;1H/q+1;/p-1/t19?,20-,25?;/m0./s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50296327
PNG
((3R)-1-Heptyl-3-{[hydroxy(di-2-thienyl)acetyl]oxy}...)
Show SMILES [Br-].CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C24H34NO3S2.BrH/c1-2-3-4-5-6-13-25-14-11-19(12-15-25)20(18-25)28-23(26)24(27,21-9-7-16-29-21)22-10-8-17-30-22;/h7-10,16-17,19-20,27H,2-6,11-15,18H2,1H3;1H/q+1;/p-1/t19?,20-,25?;/m0./s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.390n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50296327
PNG
((3R)-1-Heptyl-3-{[hydroxy(di-2-thienyl)acetyl]oxy}...)
Show SMILES [Br-].CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C24H34NO3S2.BrH/c1-2-3-4-5-6-13-25-14-11-19(12-15-25)20(18-25)28-23(26)24(27,21-9-7-16-29-21)22-10-8-17-30-22;/h7-10,16-17,19-20,27H,2-6,11-15,18H2,1H3;1H/q+1;/p-1/t19?,20-,25?;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.360n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHOK1 cells by microplate scintillation counting


J Med Chem 52: 5076-92 (2010)


Article DOI: 10.1021/jm900132z
BindingDB Entry DOI: 10.7270/Q2SX6F5Z
More data for this
Ligand-Target Pair