BDBM50337885 (1R,2R,4S,5R,7S)-7-(2-Hydroxy-2,2-di-thiophen-2-yl-acetoxy)-9-{9-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro-quinolin-5-yl)-ethylamino]-nonyl}-9-methyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane::CHEMBL1683942

SMILES C[N+]1(CCCCCCCCCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1

InChI Key

Data  2 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50337885   

TargetBeta-2 adrenergic receptor(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM50337885((1R,2R,4S,5R,7S)-7-(2-Hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataEC50:  0.900nMAssay Description:Agonist activity at human beta2-adrenoceptor expressed in HEK cells assessed as increase of cAMP level after 10 mins by radioimmunoassayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM50337885((1R,2R,4S,5R,7S)-7-(2-Hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  4.60nMAssay Description:Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM50337885((1R,2R,4S,5R,7S)-7-(2-Hydroxy-2,2-di-thiophen-2-yl...)
Affinity DataKi:  36nMAssay Description:Displacement of [3H]-dihydroalprenolol from human beta2-adrenoceptor expressed in HEK cells after 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2011
Entry Details Article
PubMed