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Assay Detail

CHEMBL2447076

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

Binding
Antagonist activity at NK1 receptor (unknown origin)
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate.
Di Fabio R, Alvaro G, Braggio S, Carletti R, Gerrard PA, Griffante C, Marchioro C, Pozzan A, Melotto S, Poffe A, Piccoli L, Ratti E, Tranquillini E, Trower M, Spada S, Corsi M.
Bioorg Med Chem (2013) 21 : 6264 -6273
PubMed 24075145 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 9.60 10.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL555572 1 10.40
CHEMBL1471 APREPITANT 4.0 1 10.05
CHEMBL425956 1 10.05
CHEMBL2441368 1 9.77
CHEMBL22194 L-709210 1 9.70
CHEMBL522987 VESTIPITANT 2.0 1 9.60
CHEMBL2441369 1 9.21
CHEMBL16192 CP-96345 1 9.18
CHEMBL206253 NETUPITANT 4.0 1 9.02
CHEMBL27006 1 9.00

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL555572 IC50 = 0.04 nM 10.40
CHEMBL1471 APREPITANT IC50 = 0.09 nM 10.05
CHEMBL425956 IC50 = 0.09 nM 10.05
CHEMBL2441368 IC50 = 0.17 nM 9.77
CHEMBL22194 L-709210 IC50 = 0.2 nM 9.70
CHEMBL522987 VESTIPITANT IC50 = 0.25 nM 9.60
CHEMBL2441369 IC50 = 0.61 nM 9.21
CHEMBL16192 CP-96345 IC50 = 0.66 nM 9.18
CHEMBL206253 NETUPITANT IC50 = 0.95 nM 9.02
CHEMBL27006 IC50 = 1.0 nM 9.00