BDBM121042 US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide::US8722896, (+/-)-2-Methyl-3-(benzylamino)- N-(9-chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)- N-isobutylpropanamide::US8722896, (-)-(2R)-2-Methyl-3- (benzylamino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide

SMILES CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1ccccc1

InChI Key InChIKey=GGHVZCHFXLKKQW-UHFFFAOYSA-N

Data  8 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 121042   

TargetProkineticin receptor 2(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121042(US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)...)
Affinity DataKi:  1.40nM ΔG°:  -12.6kcal/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 2(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121042(US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)...)
Affinity DataKi:  4.92nM 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
US Patent

TargetProkineticin receptor 2(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121042(US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)...)
Affinity DataKi:  8.30nM 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 Depth
Date in BDB:
10/20/2014
Entry Details
US Patent

TargetProkineticin receptor 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121042(US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)...)
Affinity DataKi:  32.4nM 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
US Patent

TargetProkineticin receptor 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121042(US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)...)
Affinity DataKi:  73.2nM ΔG°:  -10.1kcal/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 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121042(US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)...)
Affinity DataKi:  85.8nM ΔG°:  -10.0kcal/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
LigandPNGBDBM121042(US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)...)
Affinity DataKi:  178nM ΔG°:  -9.57kcal/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
LigandPNGBDBM121042(US8722896, (+)-(2S)-2-Methyl-3- benzylmethylamino)...)
Affinity DataKi:  1.36E+3nM ΔG°:  -8.32kcal/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