BDBM50030123 (S)-2-Acetylamino-3-(1H-indazol-3-yl)-propionic acid 3,5-bis-trifluoromethyl-benzyl ester::CHEMBL283989

SMILES CC(=O)N[C@@H](Cc1n[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=KZVGKRDRRIBLKM-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 = 50030123   

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

Curated by ChEMBL
LigandPNGBDBM50030123((S)-2-Acetylamino-3-(1H-indazol-3-yl)-propionic ac...)
Affinity DataIC50: 197nMAssay 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
TargetSubstance-K receptor(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030123((S)-2-Acetylamino-3-(1H-indazol-3-yl)-propionic ac...)
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
LigandPNGBDBM50030123((S)-2-Acetylamino-3-(1H-indazol-3-yl)-propionic ac...)
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