BDBM50346329 (R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-((S)-2-(2-((3,5-bis(trifluoromethyl)benzyl)(methyl)amino)-2-oxoethyl)-3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)-5-guanidinopentanamide::CHEMBL1782141

SMILES [#6]-[#7](-[#6]-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-[#6](=O)-[#6]-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O

InChI Key InChIKey=UXNDGPPTVKDIOD-QAXCHELISA-N

Data  11 KI  6 IC50  1 Kd

  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 18 hits for monomerid = 50346329   

TargetMu-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  0.416nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  0.420nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  0.420nMAssay Description:Displacement of [3H]DAMGO from rat brain MOR after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]SP from human recombinant NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]SP from human NK1 receptor transfected in CHO cells by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  7.80nMAssay Description:Antagonist activity against human NK1 receptor expressed in CHO-K1 cells by aequorin luminescence assay based Schild's plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]DSLET from rat brain DOR after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  10nMAssay Description:Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  10.4nMAssay Description:Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKi:  445nMAssay Description:Displacement of [3H]U69593 from KOR in guinea pig brain membranes after 2 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataIC50:  43.3nMAssay Description:Agonist activity at delta opioid receptor in mouse vas deferenceMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(GUINEA PIG)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataIC50:  8.51nMAssay Description:Agonist activity at mu opioid receptor in guinea pig ileumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataKd:  15.8nMAssay Description:Antagonist activity at human NK1 receptor expressed in CHO-K1 cells assessed as inhibition of substance P-induced calcium-dependent aequorine lumines...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(GUINEA PIG)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataIC50:  8.5nMAssay Description:Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataIC50:  43nMAssay Description:Activation of DOR in mouse vas deferensMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(GUINEA PIG)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataIC50:  8.5nMAssay Description:Activation of MOR in guinea pig ileumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50346329((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...)
Affinity DataIC50:  43nMAssay Description:Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contractionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed