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Assay Detail

CHEMBL3578335

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

Binding
Inhibition of recombinant BRAF V600E mutant (unknown origin) assessed as ADP formation measured for 5 hrs by pyruvate kinase/lactate dehydrogenase coupled assay in presence of ATP, MEK1, NADH
12
Total Activities
12
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

Serine/threonine-protein kinase B-raf (CHEMBL5145)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea (LY3009120) as a pan-RAF inhibitor with minimal paradoxical activation and activity against BRAF or RAS mutant tumor cells.
Henry JR, Kaufman MD, Peng SB, Ahn YM, Caldwell TM, Vogeti L, Telikepalli H, Lu WP, Hood MM, Rutkoski TJ, Smith BD, Vogeti S, Miller D, Wise SC, Chun L, Zhang X, Zhang Y, Kays L, Hipskind PA, Wrobleski AD, Lobb KL, Clay JM, Cohen JD, Walgren JL, McCann D, Patel P, Clawson DK, Guo S, Manglicmot D, Groshong C, Logan C, Starling JJ, Flynn DL.
J Med Chem (2015) 58 : 4165 -4179
PubMed 25965804 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 12 8.37 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3577114 1 9.00
CHEMBL3577115 1 8.92
CHEMBL3577123 1 8.70
CHEMBL3577120 1 8.52
CHEMBL3577116 1 8.38
CHEMBL3577118 1 8.37
CHEMBL3577124 LY-3009120 1.0 1 8.24
CHEMBL1229517 VEMURAFENIB 4.0 1 8.21
CHEMBL3577119 1 8.12
CHEMBL3577117 1 8.11
CHEMBL3577122 1 8.10
CHEMBL3577121 1 7.75

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3577114 IC50 = 1.0 nM 9.00
CHEMBL3577115 IC50 = 1.2 nM 8.92
CHEMBL3577123 IC50 = 2.0 nM 8.70
CHEMBL3577120 IC50 = 3.0 nM 8.52
CHEMBL3577116 IC50 = 4.2 nM 8.38
CHEMBL3577118 IC50 = 4.3 nM 8.37
CHEMBL3577124 LY-3009120 IC50 = 5.8 nM 8.24
CHEMBL1229517 VEMURAFENIB IC50 = 6.1 nM 8.21
CHEMBL3577119 IC50 = 7.6 nM 8.12
CHEMBL3577117 IC50 = 7.7 nM 8.11
CHEMBL3577122 IC50 = 7.9 nM 8.10
CHEMBL3577121 IC50 = 18.0 nM 7.75