BDBM50328987 (3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-N-cyclopropyl-6-phenylpiperidine-3-carboxamide::CHEMBL1270869
SMILES: C[C@@H](OC[C@]1(CC[C@H](CN1)C(=O)NC1CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=IKROAVAVBXVDKX-HOZJOUCCSA-N
Data: 1 KI
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)) | BDBM50328987 ((3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]SAr-Met from human recombinant NK1 receptor expressed in CHO cells | Bioorg Med Chem Lett 20: 6313-5 (2010) Article DOI: 10.1016/j.bmcl.2010.08.059 BindingDB Entry DOI: 10.7270/Q23X86VK | |||||||||||
More data for this Ligand-Target Pair |