BDBM50178574 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(4-methylpiperazin-1-yl)-4-o-tolylpyridin-3-yl)propanamide::CHEMBL206253::Netupitant

SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1

InChI Key InChIKey=WAXQNWCZJDTGBU-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

  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 2 hits for monomerid = 50178574   

TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50178574(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Affinity DataKi:  0.950nMAssay Description:Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50178574(2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-...)
Affinity DataIC50:  0.950nMAssay Description:Antagonist activity at NK1 receptor (unknown origin)More data for this Ligand-Target Pair