BDBM50067933 5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-3-(4-fluorophenyl)morpholino)methyl)-2H-1,2,4-triazol-3(4H)-one::5-[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(4-fluoro-phenyl)-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one::CHEMBL140745
SMILES: Fc1ccc(cc1)[C@H]1[C@@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)OCCN1Cc1n[nH]c(=O)[nH]1
InChI Key: InChIKey=FYADPUQVZFJTEM-RBUKOAKNSA-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)) | BDBM50067933 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of NK1 receptor (unknown origin) | J Med Chem 51: 4359-69 (2008) Article DOI: 10.1021/jm800219f BindingDB Entry DOI: 10.7270/Q28915N5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50067933 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells | J Med Chem 41: 4607-14 (1998) Article DOI: 10.1021/jm980299k BindingDB Entry DOI: 10.7270/Q2XW4HZ7 | |||||||||||
More data for this Ligand-Target Pair |