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Assay Detail

CHEMBL5049598

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

Binding
Displacement of 3H-LP-927443 from AAK1 in mouse brain membrane homogenate assessed as inhibition constant at 1 uM incubated for 1 hr by liquid scintillation counter analysis
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Mus musculus
Tissue Brain
Subcellular Membrane
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

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
Ki 21 9.22 10.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5088205 1 10.40
CHEMBL5082933 1 10.15
CHEMBL5092306 1 10.10
CHEMBL5093649 1 9.85
CHEMBL5074777 1 9.77
CHEMBL5069779 1 9.66
CHEMBL5084823 1 9.60
CHEMBL5089410 PILAVAPADIN 2.0 1 9.51
CHEMBL5088856 1 9.39
CHEMBL5086617 1 9.29
CHEMBL5085230 1 9.19
CHEMBL5085177 1 9.15
CHEMBL5088767 1 8.96
CHEMBL5084977 1 8.96
CHEMBL5074638 1 8.92
CHEMBL5085373 1 8.74
CHEMBL5089204 1 8.68
CHEMBL5079068 1 8.49
CHEMBL5079451 1 8.41
CHEMBL5077192 1 8.35
CHEMBL5088528 1 8.14

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5088205 Ki = 0.04 nM 10.40
CHEMBL5082933 Ki = 0.07 nM 10.15
CHEMBL5092306 Ki = 0.08 nM 10.10
CHEMBL5093649 Ki = 0.14 nM 9.85
CHEMBL5074777 Ki = 0.17 nM 9.77
CHEMBL5069779 Ki = 0.22 nM 9.66
CHEMBL5084823 Ki = 0.25 nM 9.60
CHEMBL5089410 PILAVAPADIN Ki = 0.31 nM 9.51
CHEMBL5088856 Ki = 0.41 nM 9.39
CHEMBL5086617 Ki = 0.51 nM 9.29
CHEMBL5085230 Ki = 0.64 nM 9.19
CHEMBL5085177 Ki = 0.71 nM 9.15
CHEMBL5088767 Ki = 1.1 nM 8.96
CHEMBL5084977 Ki = 1.1 nM 8.96
CHEMBL5074638 Ki = 1.2 nM 8.92
CHEMBL5085373 Ki = 1.8 nM 8.74
CHEMBL5089204 Ki = 2.1 nM 8.68
CHEMBL5079068 Ki = 3.2 nM 8.49
CHEMBL5079451 Ki = 3.9 nM 8.41
CHEMBL5077192 Ki = 4.5 nM 8.35
CHEMBL5088528 Ki = 7.2 nM 8.14