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Assay Detail

CHEMBL807955

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Displacement of [125I]-labeled SP from the human Tachykinin receptor 1 expressed in CHO cells
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type CHO
Confidence 9 — Direct single protein target
Curated By Expert

Target

Substance-P receptor (CHEMBL249)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structural optimization affording 2-(R)-(1-(R)-3, 5-bis(trifluoromethyl)phenylethoxy)-3-(S)-(4-fluoro)phenyl-4- (3-oxo-1,2,4-triazol-5-yl)methylmorpholine, a potent, orally active, long-acting morpholine acetal human NK-1 receptor antagonist.
Hale JJ, Mills SG, MacCoss M, Finke PE, Cascieri MA, Sadowski S, Ber E, Chicchi GG, Kurtz M, Metzger J, Eiermann G, Tsou NN, Tattersall FD, Rupniak NM, Williams AR, Rycroft W, Hargreaves R, MacIntyre DE.
J Med Chem (1998) 41 : 4607 -4614
PubMed 9804700 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 9.82 10.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL140745 1 10.15
CHEMBL522302 VOFOPITANT 2.0 1 10.10
CHEMBL52330 1 10.05
CHEMBL143587 1 10.05
CHEMBL1471 APREPITANT 4.0 1 10.05
CHEMBL140626 1 10.00
CHEMBL319118 1 9.85
CHEMBL358343 1 9.57
CHEMBL135022 1 9.30
CHEMBL142819 1 9.06

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL140745 IC50 = 0.07 nM 10.15
CHEMBL522302 VOFOPITANT IC50 = 0.08 nM 10.10
CHEMBL52330 IC50 = 0.09 nM 10.05
CHEMBL143587 IC50 = 0.09 nM 10.05
CHEMBL1471 APREPITANT IC50 = 0.09 nM 10.05
CHEMBL140626 IC50 = 0.1 nM 10.00
CHEMBL319118 IC50 = 0.14 nM 9.85
CHEMBL358343 IC50 = 0.27 nM 9.57
CHEMBL135022 IC50 = 0.5 nM 9.30
CHEMBL142819 IC50 = 0.88 nM 9.06