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

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 4 hits for monomerid = 121129   

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

US Patent
LigandPNGBDBM121129(A457 | US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- ...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3
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
TargetProkineticin receptor 2(Cricetulus griseus (Chinese hamster))
The Regents of the University of California

US Patent
LigandPNGBDBM121129(A457 | US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- ...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3
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
TargetProkineticin receptor 2(Homo sapiens (Human))
Central South University

LigandPNGBDBM121129(A457 | US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- ...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3
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
TargetProkineticin-2(Homo sapiens (Human))
Central South University

LigandPNGBDBM121129(A457 | US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- ...)
Show SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3
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