BDBM50261732 (2S,3S)-N-(((S)-6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isochromen-7-yl)methyl)-2-phenylpiperidin-3-amine::CHEMBL468350
SMILES: COc1cc2CCO[C@@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F
InChI Key: InChIKey=ODEBBNRINYMIRX-PMVMPFDFSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Substance-P receptor (Homo sapiens (Human)) | BDBM50261732 ((2S,3S)-N-(((S)-6-methoxy-1-methyl-1-(trifluoromet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from NK1 receptor in human IM9 cells | Bioorg Med Chem 16: 7193-205 (2008) Article DOI: 10.1016/j.bmc.2008.06.047 BindingDB Entry DOI: 10.7270/Q2RV0NHN | |||||||||||
More data for this Ligand-Target Pair |