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Assay Detail

CHEMBL3293163

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

Binding
Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA
24
Total Activities
24
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type NIH3T3
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

ALK tyrosine kinase receptor (CHEMBL4247)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations.
Johnson TW, Richardson PF, Bailey S, Brooun A, Burke BJ, Collins MR, Cui JJ, Deal JG, Deng YL, Dinh D, Engstrom LD, He M, Hoffman J, Hoffman RL, Huang Q, Kania RS, Kath JC, Lam H, Lam JL, Le PT, Lingardo L, Liu W, McTigue M, Palmer CL, Sach NW, Smeal T, Smith GL, Stewart AE, Timofeevski S, Zhu H, Zhu J, Zou HY, Edwards MP.
J Med Chem (2014) 57 : 4720 -4744
PubMed 24819116 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 24 8.19 9.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3286826 1 9.96
CHEMBL3286825 1 9.74
CHEMBL3286823 1 9.68
CHEMBL3286828 1 9.47
CHEMBL3286820 1 9.15
CHEMBL3128069 1 9.12
CHEMBL3286819 1 9.05
CHEMBL3286818 1 9.00
CHEMBL3286830 LORLATINIB 4.0 1 8.89
CHEMBL3286827 1 8.89
CHEMBL3286813 1 8.34
CHEMBL3286822 1 8.19
CHEMBL3286811 1 8.01
CHEMBL3128075 1 7.85
CHEMBL3286815 1 7.82
CHEMBL3286812 1 7.80
CHEMBL3286814 1 7.66
CHEMBL601719 CRIZOTINIB 4.0 1 7.10
CHEMBL3286816 1 7.07
CHEMBL3286808 1 7.02
CHEMBL3286809 1 6.94
CHEMBL3286824 1 6.81
CHEMBL3128060 1 6.60
CHEMBL3286817 1 6.28

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3286826 IC50 = 0.11 nM 9.96
CHEMBL3286825 IC50 = 0.18 nM 9.74
CHEMBL3286823 IC50 = 0.21 nM 9.68
CHEMBL3286828 IC50 = 0.34 nM 9.47
CHEMBL3286820 IC50 = 0.7 nM 9.15
CHEMBL3128069 IC50 = 0.76 nM 9.12
CHEMBL3286819 IC50 = 0.9 nM 9.05
CHEMBL3286818 IC50 = 1.0 nM 9.00
CHEMBL3286830 LORLATINIB IC50 = 1.3 nM 8.89
CHEMBL3286827 IC50 = 1.3 nM 8.89
CHEMBL3286813 IC50 = 4.6 nM 8.34
CHEMBL3286822 IC50 = 6.4 nM 8.19
CHEMBL3286811 IC50 = 9.7 nM 8.01
CHEMBL3128075 IC50 = 14.0 nM 7.85
CHEMBL3286815 IC50 = 15.0 nM 7.82
CHEMBL3286812 IC50 = 16.0 nM 7.80
CHEMBL3286814 IC50 = 22.0 nM 7.66
CHEMBL601719 CRIZOTINIB IC50 = 80.0 nM 7.10
CHEMBL3286816 IC50 = 86.0 nM 7.07
CHEMBL3286808 IC50 = 95.0 nM 7.02
CHEMBL3286809 IC50 = 116.0 nM 6.94
CHEMBL3286824 IC50 = 156.0 nM 6.81
CHEMBL3128060 IC50 = 249.0 nM 6.60
CHEMBL3286817 IC50 = 524.0 nM 6.28