BDBM50033826 1-(3,5-Bis-trifluoromethyl-benzyl)-3-(1H-indol-3-ylmethyl)-piperazine-2,5-dione::CHEMBL172308
SMILES: FC(F)(F)c1cc(CN2CC(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc(c1)C(F)(F)F
InChI Key: InChIKey=XTSMGYUOSWQEGE-UHFFFAOYSA-N
Data: 1 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)) | BDBM50033826 (1-(3,5-Bis-trifluoromethyl-benzyl)-3-(1H-indol-3-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp& Dohme Research Laboratories Curated by ChEMBL | Assay Description Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I]Trp8-substance P displacement. | J Med Chem 38: 923-33 (1995) BindingDB Entry DOI: 10.7270/Q25D8SG4 | |||||||||||
More data for this Ligand-Target Pair |