BDBM50030115 (S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic acid 2-trifluoromethyl-benzyl ester::CHEMBL281194

SMILES FC(F)(F)c1ccccc1COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1

InChI Key InChIKey=GOQORMIBYOZRHK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50030115   

TargetSubstance-K receptor(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030115((S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic aci...)
Affinity DataIC50: 5.00E+3nMAssay Description:Binding affinity to the NK2 receptor assayed by displacement of [125I]-Neurokinin AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030115((S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic aci...)
Affinity DataIC50: 5.00E+3nMAssay Description:Affinity to NK3 receptors assayed by displacement of [125I]-Bolton-Hunter labeled eledoisin radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030115((S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic aci...)
Affinity DataIC50: 183nMAssay Description:Binding affinity towards cloned neurokinin 1 receptor, based on the displacement of [125I]-labeled substance PMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed