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Assay Detail

CHEMBL4178356

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

Binding
Inhibition of EGFR T790M/L858R double mutant (unknown origin)
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Epidermal growth factor receptor (CHEMBL203)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
Planken S, Behenna DC, Nair SK, Johnson TO, Nagata A, Almaden C, Bailey S, Ballard TE, Bernier L, Cheng H, Cho-Schultz S, Dalvie D, Deal JG, Dinh DM, Edwards MP, Ferre RA, Gajiwala KS, Hemkens M, Kania RS, Kath JC, Matthews J, Murray BW, Niessen S, Orr ST, Pairish M, Sach NW, Shen H, Shi M, Solowiej J, Tran K, Tseng E, Vicini P, Wang Y, Weinrich SL, Zhou R, Zientek M, Liu L, Luo Y, Xin S, Zhang C, Lafontaine J.
J Med Chem (2017) 60 : 3002 -3019
PubMed 28287730 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 23 7.66 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4216749 1 8.70
CHEMBL3608429 1 8.70
CHEMBL4211367 1 8.52
CHEMBL4211782 1 8.52
CHEMBL4206481 1 8.40
CHEMBL4205392 1 8.22
CHEMBL4216679 1 8.10
CHEMBL4208811 1 8.05
CHEMBL3989970 MAVELERTINIB 2.0 1 7.89
CHEMBL3608432 1 7.77
CHEMBL4208829 1 7.75
CHEMBL4218154 1 7.72
CHEMBL4206312 1 7.50
CHEMBL4212326 1 7.44
CHEMBL4204498 1 7.25
CHEMBL4207951 1 7.07
CHEMBL4209368 1 6.98
CHEMBL4204566 1 6.82
CHEMBL4207425 1 6.79
CHEMBL4213741 1 6.79
CHEMBL4206604 1 6.79
CHEMBL4203072 1 6.74
CHEMBL4213609 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4216749 Ki = 2.0 nM 8.70
CHEMBL3608429 Ki = 2.0 nM 8.70
CHEMBL4211367 Ki = 3.0 nM 8.52
CHEMBL4211782 Ki = 3.0 nM 8.52
CHEMBL4206481 Ki = 4.0 nM 8.40
CHEMBL4205392 Ki = 6.0 nM 8.22
CHEMBL4216679 Ki = 8.0 nM 8.10
CHEMBL4208811 Ki = 9.0 nM 8.05
CHEMBL3989970 MAVELERTINIB Ki = 13.0 nM 7.89
CHEMBL3608432 Ki = 17.0 nM 7.77
CHEMBL4208829 Ki = 18.0 nM 7.75
CHEMBL4218154 Ki = 19.0 nM 7.72
CHEMBL4206312 Ki = 32.0 nM 7.50
CHEMBL4212326 Ki = 36.0 nM 7.44
CHEMBL4204498 Ki = 56.0 nM 7.25
CHEMBL4207951 Ki = 85.0 nM 7.07
CHEMBL4209368 Ki = 105.0 nM 6.98
CHEMBL4204566 Ki = 152.0 nM 6.82
CHEMBL4207425 Ki = 161.0 nM 6.79
CHEMBL4213741 Ki = 164.0 nM 6.79
CHEMBL4206604 Ki = 161.0 nM 6.79
CHEMBL4203072 Ki = 183.0 nM 6.74
CHEMBL4213609 Ki - -