BDBM50045036 7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-2-[2-(3,6-dioxo-2,5-diaza-tricyclo[6.2.2.0*2,7*]dodec-4-yl)-acetylamino]-ethyl}-indol-1-yl)-7-oxo-heptyl-ammonium::CHEMBL3144209

SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O

InChI Key InChIKey=PRYCKXQCDGEFFJ-UHFFFAOYSA-O

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50045036   

TargetSubstance-K receptor(Homo sapiens (Human))
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM50045036(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Affinity DataIC50:  45nMAssay Description:Tested for binding affinity against human NK-2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM50045036(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Affinity DataIC50:  21nMAssay Description:Tested for binding affinity against human NK-1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(Rattus norvegicus (Rat))
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM50045036(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Affinity DataIC50:  188nMAssay Description:Tested for binding affinity against rat NK-2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Rattus norvegicus (rat))
Institut De Recherches Servier

Curated by ChEMBL
LigandPNGBDBM50045036(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Affinity DataIC50:  2.90E+3nMAssay Description:Tested for binding affinity against rat NK-1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed