BDBM50262281 (2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzylamino]-2-phenylpiperidine::CHEMBL469176
SMILES: COc1ccc(CC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChI Key: InChIKey=GXIYYBXZKMHKPE-ICSRJNTNSA-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 |
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Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50262281 ((2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.25E+3 | 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 Binding affinity to human CYP2D6 using bufuralol as substrate | 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 | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50262281 ((2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.900 | 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 |