BDBM121202 US8722896, (+)-(2S)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide::US8722896, (+/-)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide::US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethylamino)-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)CNCc1cccc2[nH]ccc12

InChI Key InChIKey=WVARBMDYVFPBSM-UHFFFAOYSA-N

Data  14 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 14 hits for monomerid = 121202   

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

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  1.43nM ΔG°:  -12.5kcal/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(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  1.5nM ΔG°:  -12.5kcal/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(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  1.60nM ΔG°:  -12.5kcal/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 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  2.38nM ΔG°:  -12.2kcal/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(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  2.62nM ΔG°:  -12.2kcal/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 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  4.08nM ΔG°:  -11.9kcal/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 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  4.24nM ΔG°:  -11.9kcal/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 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
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 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  10.7nM 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 DepthDetails
US Patent

TargetProkineticin receptor 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  11.4nM 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 DepthDetails
US Patent

TargetProkineticin receptor 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  14.9nM 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 DepthDetails
US Patent

TargetProkineticin receptor 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  18.1nM ΔG°:  -11.0kcal/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 DepthDetails
US Patent

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

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  87.8nM 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 DepthDetails
US Patent

TargetProkineticin receptor 1(Chinese hamster)
The Regents of The University of California

US Patent
LigandPNGBDBM121202(US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethyla...)
Affinity DataKi:  240nM ΔG°:  -9.39kcal/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