BDBM50413891 VESTIPITANT

SMILES C[C@@H](N(C)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=SBBYBXSFWOLDDG-JLTOFOAXSA-N

Data  3 KI  1 IC50  1 Kd

  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 1 hit for monomerid = 50413891   

TargetSubstance-P receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50413891(VESTIPITANT)
Affinity DataIC50:  0.25nMAssay Description:Antagonist activity at NK1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed