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Assay Detail

CHEMBL3293161

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

Binding
Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH2 as substrate incubated for 15 mins prior to ATP addition measured after 1 hr by microfluidic mobility shift assay
26
Total Activities
26
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

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
Ki 26 8.60 9.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3286815 1 9.66
CHEMBL3286814 1 9.44
CHEMBL3286816 1 9.42
CHEMBL601719 CRIZOTINIB 4.0 1 9.13
CHEMBL3286812 1 9.07
CHEMBL3286809 1 8.55
CHEMBL3286808 1 8.40
CHEMBL3286817 1 8.30
CHEMBL3128060 1 8.05
CHEMBL3286821 1 7.77
CHEMBL3286824 1 7.77
CHEMBL3286810 1 7.66
CHEMBL3128069 1 -
CHEMBL3128075 1 -
CHEMBL3286811 1 -
CHEMBL3286813 1 -
CHEMBL3286818 1 -
CHEMBL3286819 1 -
CHEMBL3286820 1 -
CHEMBL3286822 1 -
CHEMBL3286830 LORLATINIB 4.0 1 -
CHEMBL3286823 1 -
CHEMBL3286828 1 -
CHEMBL3286825 1 -
CHEMBL3286827 1 -
CHEMBL3286826 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3286815 Ki = 0.22 nM 9.66
CHEMBL3286814 Ki = 0.36 nM 9.44
CHEMBL3286816 Ki = 0.38 nM 9.42
CHEMBL601719 CRIZOTINIB Ki = 0.74 nM 9.13
CHEMBL3286812 Ki = 0.85 nM 9.07
CHEMBL3286809 Ki = 2.8 nM 8.55
CHEMBL3286808 Ki = 4.0 nM 8.40
CHEMBL3286817 Ki = 5.0 nM 8.30
CHEMBL3128060 Ki = 9.0 nM 8.05
CHEMBL3286821 Ki = 17.0 nM 7.77
CHEMBL3286824 Ki = 17.0 nM 7.77
CHEMBL3286810 Ki = 22.0 nM 7.66
CHEMBL3128069 Ki < 0.1 nM -
CHEMBL3128075 Ki < 0.2 nM -
CHEMBL3286811 Ki < 0.2 nM -
CHEMBL3286813 Ki < 0.2 nM -
CHEMBL3286818 Ki < 0.1 nM -
CHEMBL3286819 Ki < 0.1 nM -
CHEMBL3286820 Ki < 0.2 nM -
CHEMBL3286822 Ki < 0.2 nM -
CHEMBL3286830 LORLATINIB Ki < 0.07 nM -
CHEMBL3286823 Ki < 0.2 nM -
CHEMBL3286828 Ki < 0.1 nM -
CHEMBL3286825 Ki < 0.2 nM -
CHEMBL3286827 Ki < 0.07 nM -
CHEMBL3286826 Ki < 0.08 nM -