BDBM50444583 CHEMBL3099716::US9340549, 74

SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1

InChI Key InChIKey=QTAONPFQLNZKSD-XJABCFGWSA-N

Data  11 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50444583   

TargetSubstance-P receptor(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50444583(CHEMBL3099716 | US9340549, 74)
Affinity DataIC50: >4.85E+4nMAssay Description:Binding affinity to NK1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed