BDBM50084425 CHEMBL3426704::US9394275, I-25

SMILES COc1cc(ccc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)N(C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1

InChI Key InChIKey=GJTYLBHZSBMEKJ-UHFFFAOYSA-N

Data  2 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084425   

TargetMuscarinic acetylcholine receptor M3(Human)
Theravance Respiratory

US Patent
LigandPNGBDBM50084425(CHEMBL3426704 | US9394275, I-25)
Affinity DataKi:  0.100nM ΔG°:  -14.2kcal/moleT: 2°CAssay Description:Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM and eleven different test compound concentr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details
US Patent

TargetMuscarinic acetylcholine receptor M3(Human)
Theravance Respiratory

US Patent
LigandPNGBDBM50084425(CHEMBL3426704 | US9394275, I-25)
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed
TargetBeta-2 adrenergic receptor(Human)
Theravance Respiratory

US Patent
LigandPNGBDBM50084425(CHEMBL3426704 | US9394275, I-25)
Affinity DataEC50:  1nMT: 2°CAssay Description:cAMP assays were performed in a radioimmunoassay format using the Flashplate Adenylyl Cyclase Activation Assay System with [125I]-cAMP (NEN SMP004, P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details
US Patent

TargetBeta-2 adrenergic receptor(Human)
Theravance Respiratory

US Patent
LigandPNGBDBM50084425(CHEMBL3426704 | US9394275, I-25)
Affinity DataEC50:  50nMAssay Description:Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells assessed as cAMP accumulation using [125I]cAMP by scintillation countin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed