BDBM50052280 (2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-1-(4H-[1,2,4]triazol-3-ylmethyl)-piperidine::3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-1-(1H-[1,2,4]triazol-3-ylmethyl)-piperidine::CHEMBL99792
SMILES: FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnc[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
InChI Key: InChIKey=HHYXMPLEGVKQIW-FPOVZHCZSA-N
Data: 3 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 |
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Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50052280 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) | 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 | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125 I]-Tyr8 SP from the cloned human Tachykinin receptor 1 expressed in CHO cells | J Med Chem 39: 2907-14 (1996) Article DOI: 10.1021/jm9506534 BindingDB Entry DOI: 10.7270/Q2D21WP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50052280 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University Curated by ChEMBL | Assay Description Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed hNK1 using [125I]SP. | J Med Chem 41: 3609-23 (1998) Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Rattus norvegicus (rat)) | BDBM50052280 ((2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonism of NK1 receptor in rat liver microsomes. | Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX | |||||||||||
More data for this Ligand-Target Pair |