BDBM121111 US8722896, (-)-(3R)-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)[C@@H]1CCN(Cc2ccccc2)C1

InChI Key InChIKey=IOXBZEKQVLIIQH-UHFFFAOYSA-N

Data  6 KI

  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 6 hits for monomerid = 121111   

TargetProkineticin receptor 2(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121111(US8722896, (-)-(3R)-1-Benzyl-N-(9-chloro- 3,4-dihy...)
Affinity DataKi:  2.66nM ΔG°:  -12.2kcal/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
LigandPNGBDBM121111(US8722896, (-)-(3R)-1-Benzyl-N-(9-chloro- 3,4-dihy...)
Affinity DataKi:  4.16nM ΔG°:  -11.9kcal/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
LigandPNGBDBM121111(US8722896, (-)-(3R)-1-Benzyl-N-(9-chloro- 3,4-dihy...)
Affinity DataKi:  4.56nM 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 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121111(US8722896, (-)-(3R)-1-Benzyl-N-(9-chloro- 3,4-dihy...)
Affinity DataKi:  23.4nM ΔG°:  -10.8kcal/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 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121111(US8722896, (-)-(3R)-1-Benzyl-N-(9-chloro- 3,4-dihy...)
Affinity DataKi:  31.2nM ΔG°:  -10.6kcal/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 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121111(US8722896, (-)-(3R)-1-Benzyl-N-(9-chloro- 3,4-dihy...)
Affinity DataKi:  49nM ΔG°:  -10.4kcal/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