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Assay Detail

CHEMBL3888716

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

Binding
In Vitro Affinity Assay: â¿¿PathHunter HEK293-CXCR2⿝ or â¿¿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well format) in 20 μl of Opti MEM I medium. A preincubation with the antagonist or the vehicle for 30 min at 37° C. and 5% CO2 was followed by 60 minutes of stimulation with CXCL8 at 37° C. and 5% CO2. The cells were then placed at ambient temperature for 30 minutes. The PathHunter detection reagent (DiscoveRx Corporation) was added. After incubation for 60 min at ambient temperature, the β-galactosidase induced by the luminescence during the β-arrestin-CXCR2 interaction was measured for 0.3 s in an Envision 2102 Multilabel Reader (PerkinElmer Life and Analytical Sciences).
34
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

C-X-C chemokine receptor type 1 (CHEMBL4029)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases
(2016)

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 34 6.43 7.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3913959 2 7.70
CHEMBL3952996 1 7.52
CHEMBL3909470 2 7.44
CHEMBL3904195 1 7.38
CHEMBL3901913 3 7.37
CHEMBL3951994 6 7.36
CHEMBL3935902 2 7.05
CHEMBL3956601 1 6.95
CHEMBL3915145 1 6.77
CHEMBL3979652 3 6.61
CHEMBL3986396 1 6.42
CHEMBL3934321 1 6.32
CHEMBL3902863 1 6.29
CHEMBL3891755 1 6.26
CHEMBL3947915 1 6.19
CHEMBL3906175 1 6.15
CHEMBL3900726 1 6.09
CHEMBL3980279 1 5.94
CHEMBL4106677 1 5.88
CHEMBL3976863 1 5.72
CHEMBL3963336 1 5.42
CHEMBL3968340 1 5.05

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3913959 IC50 = 20.0 nM 7.70
CHEMBL3952996 IC50 = 30.0 nM 7.52
CHEMBL3909470 IC50 = 36.0 nM 7.44
CHEMBL3904195 IC50 = 42.0 nM 7.38
CHEMBL3901913 IC50 = 43.0 nM 7.37
CHEMBL3951994 IC50 = 44.0 nM 7.36
CHEMBL3951994 IC50 = 77.0 nM 7.11
CHEMBL3909470 IC50 = 85.0 nM 7.07
CHEMBL3935902 IC50 = 89.0 nM 7.05
CHEMBL3901913 IC50 = 108.0 nM 6.97
CHEMBL3956601 IC50 = 113.0 nM 6.95
CHEMBL3915145 IC50 = 171.0 nM 6.77
CHEMBL3979652 IC50 = 244.0 nM 6.61
CHEMBL3986396 IC50 = 384.0 nM 6.42
CHEMBL3934321 IC50 = 483.0 nM 6.32
CHEMBL3902863 IC50 = 508.0 nM 6.29
CHEMBL3891755 IC50 = 552.0 nM 6.26
CHEMBL3935902 IC50 = 580.0 nM 6.24
CHEMBL3947915 IC50 = 652.0 nM 6.19
CHEMBL3951994 IC50 = 661.0 nM 6.18
CHEMBL3951994 IC50 = 692.0 nM 6.16
CHEMBL3906175 IC50 = 711.0 nM 6.15
CHEMBL3979652 IC50 = 819.0 nM 6.09
CHEMBL3900726 IC50 = 812.0 nM 6.09
CHEMBL3901913 IC50 = 859.0 nM 6.07
CHEMBL3913959 IC50 = 1096.0 nM 5.96
CHEMBL3980279 IC50 = 1148.0 nM 5.94
CHEMBL4106677 IC50 = 1322.0 nM 5.88
CHEMBL3951994 IC50 = 1564.0 nM 5.81
CHEMBL3976863 IC50 = 1892.0 nM 5.72
CHEMBL3979652 IC50 = 2075.0 nM 5.68
CHEMBL3963336 IC50 = 3808.0 nM 5.42
CHEMBL3951994 IC50 = 4554.0 nM 5.34
CHEMBL3968340 IC50 = 8907.0 nM 5.05