BDBM121039 US8722896, (+/-)-2-Methyl-3-((2- ethoxy)benzylamino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide::US8722896, (-)-(2R)-2-Methyl-3-((2- ethoxy)benzylamino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutyl propanamide

SMILES CCOc1ccccc1CNCC(C)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1

InChI Key InChIKey=BXRDESCJISJVSN-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 = 121039   

TargetProkineticin receptor 2(Cricetulus griseus (Chinese hamster))
The Regents Of The University Of California

US Patent
LigandPNGBDBM121039(US8722896, (+/-)-2-Methyl-3-((2- ethoxy)benzylamin...)
Affinity DataKi:  7.18nM ΔG°:  -11.5kcal/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 DepthDetails US Patent
TargetProkineticin receptor 2(Cricetulus griseus (Chinese hamster))
The Regents Of The University Of California

US Patent
LigandPNGBDBM121039(US8722896, (+/-)-2-Methyl-3-((2- ethoxy)benzylamin...)
Affinity DataKi:  55.2nM ΔG°:  -10.3kcal/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 DepthDetails US Patent