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Assay Detail

CHEMBL967145

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

Binding
Displacement of [3H]spiperone from NK1 receptor in human IM9 cells
25
Total Activities
17
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type IM-9
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

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

Publication

Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.
Shishido Y, Wakabayashi H, Koike H, Ueno N, Nukui S, Yamagishi T, Murata Y, Naganeo F, Mizutani M, Shimada K, Fujiwara Y, Sakakibara A, Suga O, Kusano R, Ueda S, Kanai Y, Tsuchiya M, Satake K.
Bioorg Med Chem (2008) 16 : 7193 -7205
PubMed 18640044 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 9.38 9.80
Ki 1 9.70 9.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL468830 3 9.80
CHEMBL478392 2 9.70
CHEMBL392368 1 9.70
CHEMBL477365 4 9.68
CHEMBL468350 1 9.47
CHEMBL513351 1 9.40
CHEMBL319118 1 9.40
CHEMBL478620 2 9.40
CHEMBL479049 2 9.30
CHEMBL468163 1 9.15
CHEMBL469176 1 9.05
CHEMBL515935 1 9.05
CHEMBL476948 1 -
CHEMBL478831 1 -
CHEMBL468162 1 -
CHEMBL513511 1 -
CHEMBL468856 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL468830 IC50 = 0.16 nM 9.80
CHEMBL478392 Ki = 0.2 nM 9.70
CHEMBL392368 IC50 = 0.2 nM 9.70
CHEMBL477365 IC50 = 0.21 nM 9.68
CHEMBL468350 IC50 = 0.34 nM 9.47
CHEMBL477365 IC50 = 0.34 nM 9.47
CHEMBL319118 IC50 = 0.4 nM 9.40
CHEMBL513351 IC50 = 0.4 nM 9.40
CHEMBL478620 IC50 = 0.4 nM 9.40
CHEMBL479049 IC50 = 0.5 nM 9.30
CHEMBL468163 IC50 = 0.7 nM 9.15
CHEMBL478620 IC50 = 0.9 nM 9.05
CHEMBL469176 IC50 = 0.9 nM 9.05
CHEMBL515935 IC50 = 0.9 nM 9.05
CHEMBL476948 IC50 < 0.1 nM -
CHEMBL468830 IC50 < 0.1 nM -
CHEMBL468830 IC50 < 0.1 nM -
CHEMBL478831 IC50 < 0.1 nM -
CHEMBL477365 IC50 < 0.1 nM -
CHEMBL477365 IC50 < 0.1 nM -
CHEMBL479049 IC50 < 0.1 nM -
CHEMBL468162 IC50 < 0.1 nM -
CHEMBL513511 IC50 < 0.1 nM -
CHEMBL478392 IC50 < 0.1 nM -
CHEMBL468856 IC50 < 0.1 nM -