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Assay Detail

CHEMBL4033004

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

Binding
Inhibition of GST-tagged recombinant human JAK3 catalytic domain expressed in baculovirus expression system using LCB-EQEDEPEGDYFEWLW-NH2 as substrate preincubated for 30 mins followed by ATP addition measured after 120 mins by HTRF assay
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 Autocuration

Target

Tyrosine-protein kinase JAK3 (CHEMBL2148)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
Siu T, Brubaker J, Fuller P, Torres L, Zeng H, Close J, Mampreian DM, Shi F, Liu D, Fradera X, Johnson K, Bays N, Kadic E, He F, Goldenblatt P, Shaffer L, Patel SB, Lesburg CA, Alpert C, Dorosh L, Deshmukh SV, Yu H, Klappenbach J, Elwood F, Dinsmore CJ, Fernandez R, Moy L, Young JR.
J Med Chem (2017) 60 : 9676 -9690
PubMed 29156136 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 23 6.57 9.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL221959 TOFACITINIB 4.0 1 9.47
CHEMBL4078799 1 7.04
CHEMBL4089118 1 7.00
CHEMBL4096821 1 6.94
CHEMBL4102140 1 6.71
CHEMBL4061128 1 6.64
CHEMBL4089234 1 6.59
CHEMBL4077886 1 6.55
CHEMBL4104623 1 6.52
CHEMBL4066906 1 6.50
CHEMBL4100288 1 6.44
CHEMBL4072848 1 6.41
CHEMBL4071005 1 6.40
CHEMBL4067915 1 6.29
CHEMBL4085737 1 6.25
CHEMBL4064171 1 6.18
CHEMBL4092626 1 6.15
CHEMBL4079092 1 6.11
CHEMBL4076473 1 6.00
CHEMBL4066193 ATINVICITINIB 2.0 1 5.95
CHEMBL3703085 1 5.91
CHEMBL4098999 1 -
CHEMBL4088262 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL221959 TOFACITINIB IC50 = 0.34 nM 9.47
CHEMBL4078799 IC50 = 91.0 nM 7.04
CHEMBL4089118 IC50 = 100.0 nM 7.00
CHEMBL4096821 IC50 = 116.0 nM 6.94
CHEMBL4102140 IC50 = 196.0 nM 6.71
CHEMBL4061128 IC50 = 230.0 nM 6.64
CHEMBL4089234 IC50 = 256.0 nM 6.59
CHEMBL4077886 IC50 = 280.0 nM 6.55
CHEMBL4104623 IC50 = 304.0 nM 6.52
CHEMBL4066906 IC50 = 315.0 nM 6.50
CHEMBL4100288 IC50 = 361.0 nM 6.44
CHEMBL4072848 IC50 = 391.0 nM 6.41
CHEMBL4071005 IC50 = 397.0 nM 6.40
CHEMBL4067915 IC50 = 511.0 nM 6.29
CHEMBL4085737 IC50 = 556.0 nM 6.25
CHEMBL4064171 IC50 = 656.0 nM 6.18
CHEMBL4092626 IC50 = 701.0 nM 6.15
CHEMBL4079092 IC50 = 783.0 nM 6.11
CHEMBL4076473 IC50 = 1012.0 nM 6.00
CHEMBL4066193 ATINVICITINIB IC50 = 1130.0 nM 5.95
CHEMBL3703085 IC50 = 1226.0 nM 5.91
CHEMBL4098999 IC50 > 1496.0 nM -
CHEMBL4088262 IC50 > 1496.0 nM -