BDBM50262566 (2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluoromethylisochroman-7-yl]methylamino-2-phenylpiperidine::CHEMBL478392
SMILES: COc1cc2CCO[C@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F
InChI Key: InChIKey=ODEBBNRINYMIRX-ACIOBRDBSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50262566 ((2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluorometh...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | n/a | n/a | 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 | |||||||||||||
Sodium channel protein type II alpha subunit (Rattus norvegicus) | BDBM50262566 ((2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluorometh...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development Curated by ChEMBL | Assay Description Displacement of [3H]batrachotoxinin from rat sodium channel type 2A subunit expressed in CHO-CNa2A cells by whole cell patch clamp technique | 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 |