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Assay Detail

CHEMBL2160360

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

Binding
Inhibition of JAK1 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins
22
Total Activities
22
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Tyrosine-protein kinase JAK1 (CHEMBL2835)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
Zak M, Mendonca R, Balazs M, Barrett K, Bergeron P, Blair WS, Chang C, Deshmukh G, Devoss J, Dragovich PS, Eigenbrot C, Ghilardi N, Gibbons P, Gradl S, Hamman C, Hanan EJ, Harstad E, Hewitt PR, Hurley CA, Jin T, Johnson A, Johnson T, Kenny JR, Koehler MF, Bir Kohli P, Kulagowski JJ, Labadie S, Liao J, Liimatta M, Lin Z, Lupardus PJ, Maxey RJ, Murray JM, Pulk R, Rodriguez M, Savage S, Shia S, Steffek M, Ubhayakar S, Ultsch M, van Abbema A, Ward SI, Xiao L, Xiao Y.
J Med Chem (2012) 55 : 6176 -6193
PubMed 22698084 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 22 8.37 9.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1789941 RUXOLITINIB 4.0 1 9.70
CHEMBL2159143 1 9.05
CHEMBL2159202 1 8.92
CHEMBL2159142 1 8.89
CHEMBL2159198 1 8.89
CHEMBL2159205 1 8.82
CHEMBL2159210 1 8.74
CHEMBL2159204 1 8.70
CHEMBL2159208 1 8.59
CHEMBL2159200 1 8.55
CHEMBL2159206 1 8.35
CHEMBL2159214 1 8.32
CHEMBL2159215 1 8.27
CHEMBL2159209 1 8.24
CHEMBL2159207 1 8.21
CHEMBL2159212 1 8.17
CHEMBL2159211 1 8.14
CHEMBL2159203 1 8.03
CHEMBL2159141 1 8.00
CHEMBL2159199 1 7.75
CHEMBL2159213 1 7.05
CHEMBL2159201 1 6.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1789941 RUXOLITINIB Ki = 0.2 nM 9.70
CHEMBL2159143 Ki = 0.9 nM 9.05
CHEMBL2159202 Ki = 1.2 nM 8.92
CHEMBL2159142 Ki = 1.3 nM 8.89
CHEMBL2159198 Ki = 1.3 nM 8.89
CHEMBL2159205 Ki = 1.5 nM 8.82
CHEMBL2159210 Ki = 1.8 nM 8.74
CHEMBL2159204 Ki = 2.0 nM 8.70
CHEMBL2159208 Ki = 2.6 nM 8.59
CHEMBL2159200 Ki = 2.8 nM 8.55
CHEMBL2159206 Ki = 4.5 nM 8.35
CHEMBL2159214 Ki = 4.8 nM 8.32
CHEMBL2159215 Ki = 5.4 nM 8.27
CHEMBL2159209 Ki = 5.8 nM 8.24
CHEMBL2159207 Ki = 6.1 nM 8.21
CHEMBL2159212 Ki = 6.7 nM 8.17
CHEMBL2159211 Ki = 7.3 nM 8.14
CHEMBL2159203 Ki = 9.3 nM 8.03
CHEMBL2159141 Ki = 10.0 nM 8.00
CHEMBL2159199 Ki = 18.0 nM 7.75
CHEMBL2159213 Ki = 90.0 nM 7.05
CHEMBL2159201 Ki = 150.0 nM 6.82