BDBM121285 US8722896, (-)-(3R)-1-(Indol-7-ylmethyl)-N- (9-chloro-2,3,4,5-tetrahydro-1- benzoxepin-7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide

SMILES CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C1CCN(Cc2cccc3cc[nH]c23)C1

InChI Key InChIKey=IXYSADTXGFLXAG-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 121285   

TargetProkineticin receptor 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121285(US8722896, (-)-(3R)-1-(Indol-7-ylmethyl)-N- (9-chl...)
Affinity DataKi:  15.4nM ΔG°:  -11.1kcal/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
LigandPNGBDBM121285(US8722896, (-)-(3R)-1-(Indol-7-ylmethyl)-N- (9-chl...)
Affinity DataKi:  111nM ΔG°:  -9.86kcal/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