BDBM50295067 (S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-15-(4-hydroxyphenyl)-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecane)-N-((S)-1-((S)-1-((S)-1-(3,5-bis(trifluoromethyl)benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-3-((2R,3R,4S,5S,6R)-6-ethyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yloxy)-1-oxopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide::CHEMBL556537

SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO[C@@H]1O[C@H](CC)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=ACFPRWCERXMNGY-SVJKDRGJSA-N

Data  4 KI  4 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 11 hits for monomerid = 50295067   

TargetSubstance-P receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataKi:  0.0520nMAssay Description:Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataKi:  0.0520nMAssay Description:Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataKi:  34nMAssay Description:Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataKi:  34nMAssay Description:Displacement of [3H]substance P from rat NK1 receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataEC50:  6.20nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataIC50:  17nMAssay 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
TargetMu-type opioid receptor(GUINEA PIG)
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataIC50:  670nMAssay 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
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataIC50:  60nMAssay Description:Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataEC50:  6.20nMAssay Description:Agonist activity at rat mu opioid receptor expressed in mouse HN9.10 cell membrane by [35S]GTPgamma binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataEC50:  28nMAssay Description:Agonist activity at human delta opioid receptor expressed in mouse HN9.10 cell membrane by [35S]GTPgamma binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Arizona

Curated by ChEMBL
LigandPNGBDBM50295067((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...)
Affinity DataIC50:  1.5nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed