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Assay Detail

CHEMBL862097

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

Binding
Binding affinity to recombinant human adenosine A2A receptor
ChEMBL ↗
149
Total Activities
149
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Expert

Target

Adenosine receptor A2a (CHEMBL251) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor.
Carotti A, Cadavid MI, Centeno NB, Esteve C, Loza MI, Martinez A, Nieto R, Raviña E, Sanz F, Segarra V, Sotelo E, Stefanachi A, Vidal B.
J Med Chem (2006) 49 : 282 -299
PubMed 16392813 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 132 6.88 8.67
pKi 17 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL201022 — — 1 8.67
CHEMBL16677 — — 1 8.65
CHEMBL201407 — — 1 7.96
CHEMBL201281 — — 1 7.92
CHEMBL426656 — — 1 7.90
CHEMBL199862 — — 1 7.81
CHEMBL201026 — — 1 7.80
CHEMBL378815 — — 1 7.79
CHEMBL16929 — — 1 7.78
CHEMBL201128 — — 1 7.77
CHEMBL377485 — — 1 7.73
CHEMBL381091 — — 1 7.72
CHEMBL201692 — — 1 7.72
CHEMBL275605 — — 1 7.70
CHEMBL202358 — — 1 7.70
CHEMBL202359 — — 1 7.70
CHEMBL203305 — — 1 7.69
CHEMBL201791 — — 1 7.62
CHEMBL201159 — — 1 7.60
CHEMBL198338 — — 1 7.59
CHEMBL370205 — — 1 7.58
CHEMBL370588 — — 1 7.57
CHEMBL201145 — — 1 7.51
CHEMBL201493 — — 1 7.50
CHEMBL382764 — — 1 7.50
CHEMBL383321 — — 1 7.49
CHEMBL201054 — — 1 7.49
CHEMBL383319 — — 1 7.49
CHEMBL201293 — — 1 7.45
CHEMBL202767 — — 1 7.41

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL201022 — Ki = 2.138 nM 8.67
CHEMBL16677 — Ki = 2.239 nM 8.65
CHEMBL201407 — Ki = 10.96 nM 7.96
CHEMBL201281 — Ki = 12.02 nM 7.92
CHEMBL426656 — Ki = 12.59 nM 7.90
CHEMBL199862 — Ki = 15.49 nM 7.81
CHEMBL201026 — Ki = 15.85 nM 7.80
CHEMBL378815 — Ki = 16.22 nM 7.79
CHEMBL16929 — Ki = 16.6 nM 7.78
CHEMBL201128 — Ki = 16.98 nM 7.77
CHEMBL377485 — Ki = 18.62 nM 7.73
CHEMBL201692 — Ki = 19.05 nM 7.72
CHEMBL381091 — Ki = 19.05 nM 7.72
CHEMBL275605 — Ki = 19.95 nM 7.70
CHEMBL202359 — Ki = 19.95 nM 7.70
CHEMBL202358 — Ki = 19.95 nM 7.70
CHEMBL203305 — Ki = 20.42 nM 7.69
CHEMBL201791 — Ki = 23.99 nM 7.62
CHEMBL201159 — Ki = 25.12 nM 7.60
CHEMBL198338 — Ki = 25.7 nM 7.59
CHEMBL370205 — Ki = 26.3 nM 7.58
CHEMBL370588 — Ki = 26.92 nM 7.57
CHEMBL201145 — Ki = 30.9 nM 7.51
CHEMBL382764 — Ki = 31.62 nM 7.50
CHEMBL201493 — Ki = 31.62 nM 7.50
CHEMBL383319 — Ki = 32.36 nM 7.49
CHEMBL383321 — Ki = 32.36 nM 7.49
CHEMBL201054 — Ki = 32.36 nM 7.49
CHEMBL201293 — Ki = 35.48 nM 7.45
CHEMBL202767 — Ki = 38.9 nM 7.41
CHEMBL381540 — Ki = 39.81 nM 7.40
CHEMBL199326 — Ki = 40.74 nM 7.39
CHEMBL203030 — Ki = 42.66 nM 7.37
CHEMBL201323 — Ki = 43.65 nM 7.36
CHEMBL425395 — Ki = 44.67 nM 7.35
CHEMBL382135 — Ki = 45.71 nM 7.34
CHEMBL199353 — Ki = 45.71 nM 7.34
CHEMBL201028 — Ki = 46.77 nM 7.33
CHEMBL199611 — Ki = 47.86 nM 7.32
CHEMBL201006 — Ki = 48.98 nM 7.31
CHEMBL201008 — Ki = 52.48 nM 7.28
CHEMBL201157 — Ki = 53.7 nM 7.27
CHEMBL199399 — Ki = 56.23 nM 7.25
CHEMBL380847 — Ki = 58.88 nM 7.23
CHEMBL197605 — Ki = 60.26 nM 7.22
CHEMBL200967 — Ki = 63.1 nM 7.20
CHEMBL199446 — Ki = 64.57 nM 7.19
CHEMBL201127 — Ki = 66.07 nM 7.18
CHEMBL382663 — Ki = 67.61 nM 7.17
CHEMBL199583 — Ki = 69.18 nM 7.16