BDBM121129 A457::US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide

SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2ccccc2)C1

InChI Key InChIKey=IOXBZEKQVLIIQH-UHFFFAOYSA-N

Data  2 KI  2 IC50  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 4 hits for monomerid = 121129   

TargetProkineticin receptor 2(Human)
Central South University

LigandPNGBDBM121129(US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro...)
Affinity DataIC50: 102nMpH: 7.5 T: 2°CAssay Description:Briefly, Chinese hamster ovary cells stably expressing the photoprotein aequorin were transiently transfected with WT or respective mutant PKR2-expre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2017
Entry Details Article
PubMed
TargetProkineticin-2(Human)
Central South University

LigandPNGBDBM121129(US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro...)
Affinity DataIC50: 40nM EC50:  7.80nMpH: 7.5 T: 2°CAssay Description:Briefly, Chinese hamster ovary cells stably expressing the photoprotein aequorin were transiently transfected with WT or respective mutant PKR2-expre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2017
Entry Details Article
PubMed
TargetProkineticin receptor 2(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121129(US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro...)
Affinity DataKi:  4.82nM ΔG°:  -11.8kcal/moleT: 2°CAssay Description:An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2014
Entry Details
Go to US Patent

TargetProkineticin receptor 2(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121129(US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro...)
Affinity DataKi:  9.98nM ΔG°:  -11.3kcal/moleT: 2°CAssay Description:An aequorin-based luminescent assay for calcium mobilization was used to measure mobilization of intracellular Ca2+ (Bullock et al., Mol Pharmacol 65...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2014
Entry Details
Go to US Patent