BDBM50030131 (S)-2-Acetylamino-3-benzo[b]thiophen-3-yl-propionic acid 3,5-bis-trifluoromethyl-benzyl ester::CHEMBL278849::L-709400

SMILES CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=HXEVSMSRSONRKR-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50030131   

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

Curated by ChEMBL
LigandPNGBDBM50030131((S)-2-Acetylamino-3-benzo[b]thiophen-3-yl-propioni...)
Affinity DataIC50: 8nMAssay 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-P receptor(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030131((S)-2-Acetylamino-3-benzo[b]thiophen-3-yl-propioni...)
Affinity DataIC50: 15.1nMAssay Description:Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP.More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetSubstance-K receptor(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50030131((S)-2-Acetylamino-3-benzo[b]thiophen-3-yl-propioni...)
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
LigandPNGBDBM50030131((S)-2-Acetylamino-3-benzo[b]thiophen-3-yl-propioni...)
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