BDBM50049469 5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-3-phenylmorpholino)methyl)-2H-1,2,4-triazol-3(4H)-one::5-[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one::CHEMBL52330
SMILES: FC(F)(F)c1cc(CO[C@H]2OCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
InChI Key: InChIKey=OYKIXMQKLMUJEK-RBUKOAKNSA-N
Data: 6 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)) | BDBM50049469 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) | 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 | 0.0900 | 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 human Tachykinin receptor 1 expressed in CHO cells | J Med Chem 39: 1760-2 (1996) Article DOI: 10.1021/jm950654w BindingDB Entry DOI: 10.7270/Q2GB2346 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50049469 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 150 | 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 3 expressed in CHO cells | J Med Chem 39: 1760-2 (1996) Article DOI: 10.1021/jm950654w BindingDB Entry DOI: 10.7270/Q2GB2346 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50049469 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) | 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 | 0.0900 | 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)) | BDBM50049469 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) | 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 | 0.0900 | 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 | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50049469 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) | 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 | 0.0900 | 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 cloned NK1 receptor expressed in CHO cells | Bioorg Med Chem Lett 16: 4497-503 (2006) Article DOI: 10.1016/j.bmcl.2006.06.035 BindingDB Entry DOI: 10.7270/Q21J99DZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50049469 (5-(((2S,3S)-2-(3,5-bis(trifluoromethyl)benzyloxy)-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7 | 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 2 expressed in CHO cells | J Med Chem 39: 1760-2 (1996) Article DOI: 10.1021/jm950654w BindingDB Entry DOI: 10.7270/Q2GB2346 | |||||||||||
More data for this Ligand-Target Pair |