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Assay Detail

CHEMBL1954993

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

Binding
Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting
26
Total Activities
25
Compounds Tested
1
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

Novel 3-phenylpiperidine-4-carboxamides as highly potent and orally long-acting neurokinin-1 receptor antagonists with reduced CYP3A induction.
Shirai J, Sugiyama H, Morimoto S, Maezaki H, Yamamoto Y, Okanishi S, Kamo I, Matsumoto S, Ishigami K, Inatomi N, Imanishi A, Kawamoto M, Tarui N, Hashimoto T, Ikeura Y.
Bioorg Med Chem (2012) 20 : 962 -977
PubMed 22189275 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 26 9.75 10.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1951813 1 10.77
CHEMBL1951810 2 10.70
CHEMBL1951626 1 10.49
CHEMBL1951633 1 10.46
CHEMBL1951631 1 10.37
CHEMBL1951811 1 10.34
CHEMBL1951630 1 10.33
CHEMBL1951632 1 10.32
CHEMBL1951629 1 10.28
CHEMBL1951627 1 10.19
CHEMBL1951634 1 10.14
CHEMBL1951621 1 10.01
CHEMBL1951635 1 9.96
CHEMBL1951625 1 9.85
CHEMBL1951623 1 9.77
CHEMBL1951624 1 9.74
CHEMBL1951814 1 9.70
CHEMBL1951628 1 9.68
CHEMBL1951618 1 8.59
CHEMBL1951616 1 8.59
CHEMBL1951622 1 8.57
CHEMBL1951619 1 8.49
CHEMBL1951617 1 8.25
CHEMBL1951620 1 7.92
CHEMBL1951812 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1951813 IC50 = 0.017 nM 10.77
CHEMBL1951810 IC50 = 0.02 nM 10.70
CHEMBL1951626 IC50 = 0.032 nM 10.49
CHEMBL1951633 IC50 = 0.035 nM 10.46
CHEMBL1951631 IC50 = 0.043 nM 10.37
CHEMBL1951811 IC50 = 0.046 nM 10.34
CHEMBL1951630 IC50 = 0.047 nM 10.33
CHEMBL1951632 IC50 = 0.048 nM 10.32
CHEMBL1951810 IC50 = 0.052 nM 10.28
CHEMBL1951629 IC50 = 0.052 nM 10.28
CHEMBL1951627 IC50 = 0.064 nM 10.19
CHEMBL1951634 IC50 = 0.073 nM 10.14
CHEMBL1951621 IC50 = 0.098 nM 10.01
CHEMBL1951635 IC50 = 0.11 nM 9.96
CHEMBL1951625 IC50 = 0.14 nM 9.85
CHEMBL1951623 IC50 = 0.17 nM 9.77
CHEMBL1951624 IC50 = 0.18 nM 9.74
CHEMBL1951814 IC50 = 0.2 nM 9.70
CHEMBL1951628 IC50 = 0.21 nM 9.68
CHEMBL1951618 IC50 = 2.6 nM 8.59
CHEMBL1951616 IC50 = 2.6 nM 8.59
CHEMBL1951622 IC50 = 2.7 nM 8.57
CHEMBL1951619 IC50 = 3.2 nM 8.49
CHEMBL1951617 IC50 = 5.6 nM 8.25
CHEMBL1951620 IC50 = 12.0 nM 7.92
CHEMBL1951812 IC50 > 100.0 nM -