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Assay Detail

CHEMBL807961

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

Binding
Binding affinity at human tachykinin receptor 1 by measuring its ability to displace [125I]-labeled substance P from the cloned receptor expressed in CHO cells.
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Cell Type CHO
Confidence 8 — Homologous single protein target
Curated By Expert

Target

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

Publication

4,4-Disubstituted piperidine high-affinity NK1 antagonists: structure-activity relationships and in vivo activity.
Stevenson GI, Huscroft I, MacLeod AM, Swain CJ, Cascieri MA, Chicchi GG, Graham MI, Harrison T, Kelleher FJ, Kurtz M, Ladduwahetty T, Merchant KJ, Metzger JM, MacIntyre DE, Sadowski S, Sohal B, Owens AP.
J Med Chem (1998) 41 : 4623 -4635
PubMed 9804702 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 8.24 9.62

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL143156 1 9.62
CHEMBL424291 1 9.49
CHEMBL143375 1 9.30
CHEMBL357887 1 9.22
CHEMBL141034 1 9.05
CHEMBL143464 1 9.03
CHEMBL422931 1 9.02
CHEMBL27006 1 9.00
CHEMBL332284 1 9.00
CHEMBL341599 1 8.92
CHEMBL142216 1 8.77
CHEMBL139719 1 8.74
CHEMBL140263 1 8.74
CHEMBL337358 1 8.74
CHEMBL143974 1 8.62
CHEMBL264997 1 8.55
CHEMBL140982 1 8.54
CHEMBL141994 1 8.54
CHEMBL359214 1 8.51
CHEMBL23617 1 8.34
CHEMBL139784 1 8.28
CHEMBL341656 1 8.24
CHEMBL143775 1 8.16
CHEMBL341745 1 8.14
CHEMBL277918 1 8.04
CHEMBL139558 1 7.90
CHEMBL442028 1 7.87
CHEMBL139868 1 7.42
CHEMBL336931 1 7.26
CHEMBL281828 1 7.24

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL143156 IC50 = 0.24 nM 9.62
CHEMBL424291 IC50 = 0.32 nM 9.49
CHEMBL143375 IC50 = 0.5 nM 9.30
CHEMBL357887 IC50 = 0.6 nM 9.22
CHEMBL141034 IC50 = 0.9 nM 9.05
CHEMBL143464 IC50 = 0.94 nM 9.03
CHEMBL422931 IC50 = 0.95 nM 9.02
CHEMBL27006 IC50 = 1.0 nM 9.00
CHEMBL332284 IC50 = 1.0 nM 9.00
CHEMBL341599 IC50 = 1.2 nM 8.92
CHEMBL142216 IC50 = 1.7 nM 8.77
CHEMBL139719 IC50 = 1.8 nM 8.74
CHEMBL140263 IC50 = 1.8 nM 8.74
CHEMBL337358 IC50 = 1.8 nM 8.74
CHEMBL143974 IC50 = 2.4 nM 8.62
CHEMBL264997 IC50 = 2.8 nM 8.55
CHEMBL140982 IC50 = 2.9 nM 8.54
CHEMBL141994 IC50 = 2.9 nM 8.54
CHEMBL359214 IC50 = 3.1 nM 8.51
CHEMBL23617 IC50 = 4.6 nM 8.34
CHEMBL139784 IC50 = 5.3 nM 8.28
CHEMBL341656 IC50 = 5.7 nM 8.24
CHEMBL143775 IC50 = 6.9 nM 8.16
CHEMBL341745 IC50 = 7.3 nM 8.14
CHEMBL277918 IC50 = 9.1 nM 8.04
CHEMBL139558 IC50 = 12.6 nM 7.90
CHEMBL442028 IC50 = 13.5 nM 7.87
CHEMBL139868 IC50 = 38.0 nM 7.42
CHEMBL336931 IC50 = 55.0 nM 7.26
CHEMBL281828 IC50 = 57.0 nM 7.24
CHEMBL143813 IC50 = 63.0 nM 7.20
CHEMBL143377 IC50 = 84.0 nM 7.08
CHEMBL140101 IC50 = 90.0 nM 7.05
CHEMBL358305 IC50 = 170.0 nM 6.77
CHEMBL444339 IC50 = 730.0 nM 6.14
CHEMBL22680 IC50 = 1113.0 nM 5.95
CHEMBL342233 IC50 > 100.0 nM -