BDBM121049 US8722896, (-)-(3R)-1-(2,3-Dihydro-1,4- benzodioxin-5-ylmethyl)-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(Cc2cccc3OCCOc23)C1

InChI Key InChIKey=VVUZVKZRRVISEK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 121049   

TargetProkineticin receptor 2(Chinese hamster)
University of California

US Patent
LigandChemical structure of BindingDB Monomer ID 121049BDBM121049(US8722896, (-)-(3R)-1-(2,3-Dihydro-1,4- benzodioxi...)
Affinity DataKi:  5.68nM ΔG°:  -11.7kcal/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
US Patent

TargetProkineticin receptor 2(Chinese hamster)
University of California

US Patent
LigandChemical structure of BindingDB Monomer ID 121049BDBM121049(US8722896, (-)-(3R)-1-(2,3-Dihydro-1,4- benzodioxi...)
Affinity DataKi:  6.88nM ΔG°:  -11.6kcal/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
US Patent

TargetProkineticin receptor 1(Chinese hamster)
University of California

US Patent
LigandChemical structure of BindingDB Monomer ID 121049BDBM121049(US8722896, (-)-(3R)-1-(2,3-Dihydro-1,4- benzodioxi...)
Affinity DataKi:  12.2nM ΔG°:  -11.2kcal/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
US Patent