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Assay Detail

CHEMBL5049599

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

Binding
Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formation incubated for 3 hrs by Western blot analysis
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293F
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

AP2-associated protein kinase 1 (CHEMBL3830)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of (<i>S</i>)-1-((2',6-Bis(difluoromethyl)-[2,4'-bipyridin]-5-yl)oxy)-2,4-dimethylpentan-2-amine (BMS-986176/LX-9211): A Highly Selective, CNS Penetrable, and Orally Active Adaptor Protein-2 Associated Kinase 1 Inhibitor in Clinical Trials for the Treatment of Neuropathic Pain.
Luo G, Chen L, Kostich WA, Hamman B, Allen J, Easton A, Bourin C, Gulianello M, Lippy J, Nara S, Maishal TK, Thiyagarajan K, Jalagam P, Pattipati SN, Dandapani K, Dokania M, Vattikundala P, Sharma V, Elavazhagan S, Verma MK, Das ML, Wagh S, Balakrishnan A, Johnson BM, Santone KS, Thalody G, Denton R, Saminathan H, Holenarsipur VK, Kumar A, Rao A, Putlur SP, Sarvasiddhi SK, Shankar G, Louis JV, Ramarao M, Conway CM, Li YW, Pieschl R, Tian Y, Hong Y, Ditta J, Mathur A, Li J, Smith D, Pawluczyk J, Sun D, Yip S, Wu DR, Vetrichelvan M, Gupta A, Wilson A, Gopinathan S, Wason S, Bristow L, Albright CF, Bronson JJ, Macor JE, Dzierba CD.
J Med Chem (2022) 65 : 4457 -4480
PubMed 35257579 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 7.86 9.10

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5092306 1 9.10
CHEMBL5088205 1 9.05
CHEMBL5089410 PILAVAPADIN 2.0 1 8.70
CHEMBL5084823 1 8.19
CHEMBL5088767 1 8.12
CHEMBL5082933 1 8.11
CHEMBL5093649 1 8.07
CHEMBL5080544 1 8.04
CHEMBL5074638 1 8.04
CHEMBL5084977 1 7.96
CHEMBL5085373 1 7.72
CHEMBL5085230 1 7.62
CHEMBL5069779 1 7.60
CHEMBL5074777 1 7.54
CHEMBL5088856 1 7.44
CHEMBL5079068 1 7.32
CHEMBL5077192 1 7.10
CHEMBL5085177 1 7.05
CHEMBL5086617 1 6.54
CHEMBL5079451 1 -
CHEMBL5089204 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5092306 IC50 = 0.8 nM 9.10
CHEMBL5088205 IC50 = 0.9 nM 9.05
CHEMBL5089410 PILAVAPADIN IC50 = 2.0 nM 8.70
CHEMBL5084823 IC50 = 6.4 nM 8.19
CHEMBL5088767 IC50 = 7.6 nM 8.12
CHEMBL5082933 IC50 = 7.8 nM 8.11
CHEMBL5093649 IC50 = 8.5 nM 8.07
CHEMBL5080544 IC50 = 9.1 nM 8.04
CHEMBL5074638 IC50 = 9.2 nM 8.04
CHEMBL5084977 IC50 = 11.0 nM 7.96
CHEMBL5085373 IC50 = 19.0 nM 7.72
CHEMBL5085230 IC50 = 24.0 nM 7.62
CHEMBL5069779 IC50 = 25.0 nM 7.60
CHEMBL5074777 IC50 = 29.0 nM 7.54
CHEMBL5088856 IC50 = 36.0 nM 7.44
CHEMBL5079068 IC50 = 48.0 nM 7.32
CHEMBL5077192 IC50 = 80.0 nM 7.10
CHEMBL5085177 IC50 = 89.0 nM 7.05
CHEMBL5086617 IC50 = 290.0 nM 6.54
CHEMBL5079451 IC50 > 100.0 nM -
CHEMBL5089204 IC50 > 100.0 nM -