BDBM50220124 1-(4-((3S,4R)-3-(5-(2-(3,5-bis(trifluoromethyl)phenyl)propan-2-yl)-1,2,4-oxadiazol-3-yl)-4-(4-fluoro-2-methylphenyl)pyrrolidine-1-carbonyl)piperidin-1-yl)ethanone::CHEMBL392466
SMILES: CC(=O)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1C)c1noc(n1)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=VCENFKCGBAWAEQ-IZZNHLLZSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50220124 (1-(4-((3S,4R)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]SP from human NK1 receptor expressed in CHO cells | Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50220124 (1-(4-((3S,4R)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serum | Bioorg Med Chem Lett 17: 5310-5 (2007) Article DOI: 10.1016/j.bmcl.2007.08.028 BindingDB Entry DOI: 10.7270/Q2DR2V75 | |||||||||||
More data for this Ligand-Target Pair |