BDBM121068 US8722896, (-)-(3R)-1-(2-Methoxybenzyl)- N-(9-chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide

SMILES COc1ccccc1CN1CC[C@H](C1)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1

InChI Key InChIKey=MNALEGAPZJRICC-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 121068   

TargetProkineticin receptor 2(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121068(US8722896, (-)-(3R)-1-(2-Methoxybenzyl)- N-(9-chlo...)
Affinity DataKi:  0.680nM ΔG°:  -13.0kcal/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
Go to US Patent

TargetProkineticin receptor 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121068(US8722896, (-)-(3R)-1-(2-Methoxybenzyl)- N-(9-chlo...)
Affinity DataKi:  8.80nM ΔG°:  -11.4kcal/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
Go to US Patent

TargetProkineticin receptor 1(Chinese hamster)
University of California

US Patent
LigandPNGBDBM121068(US8722896, (-)-(3R)-1-(2-Methoxybenzyl)- N-(9-chlo...)
Affinity DataKi:  10.9nM 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
In Depth
Date in BDB:
10/20/2014
Entry Details
Go to US Patent