BDBM54817 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]benzamide::4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide::MLS000682490::N-[2-[benzyl(isopropyl)amino]ethyl]-4-[(tosylamino)methyl]benzamide::N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide::N-{2-[benzyl(isopropyl)amino]ethyl}-4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzamide::SMR000314971::cid_3342390

SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1

InChI Key InChIKey=JEJWQCTZDAJWOX-UHFFFAOYSA-N

Data  12 KI  20 IC50  3 EC50

  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 35 hits for monomerid = 54817   

TargetMu-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 1.40E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 860nMAssay Description:Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 860nMAssay Description:Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 860nMAssay Description:Antagonist activity against human kappa opioid receptor by DiscoveRx beta-arrestin2 recruitment based PathHunter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 2.40E+4nMAssay Description:Antagonist activity against mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 3.20E+4nMAssay Description:Antagonist activity against delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 138nMAssay Description:Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS bi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 591nMAssay Description:Antagonist activity against HA-tagged human recombinant kappa opioid receptor expressed in CHO cells assessed as inhibition of U69,593-induced ERK ph...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 403nMAssay Description:Antagonist activity against human kappa opioid receptor expressed in human U2OS cells co-expressing beta-arrestin2 pre-treated for 15 mins before U69...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 818nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 401nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 854nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetMu-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 1.31E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetMu-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 850nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataIC50: 908nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Rat)
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi:  50nMAssay Description:Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi:  306nMAssay Description:Binding affinity to mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to adrenergic alpha2C receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to sigma-1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to NET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to muscarinic M4 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to muscarinic M3 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to muscarinic M2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to muscarinic M1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to histamine H1 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi: <1.00E+3nMAssay Description:Binding affinity to 5-HT2B receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Kansas Specialized Chemistry Center

Curated by ChEMBL
LigandPNGBDBM54817(N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methy...)
Affinity DataKi:  1.09E+3nMAssay Description:Binding affinity to delta opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2016
Entry Details Article
PubMed