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Assay Detail

CHEMBL4404524

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Binding
Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type MDA-MB-231
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

5'-nucleotidase (CHEMBL5957)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

2-Substituted α,β-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
Bhattarai S, Pippel J, Scaletti E, Idris R, Freundlieb M, Rolshoven G, Renn C, Lee SY, Abdelrahman A, Zimmermann H, El-Tayeb A, Müller CE, Sträter N.
J Med Chem (2020) 63 : 2941 -2957
PubMed 32045236 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 11 7.40 8.48

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4585872 1 8.48
CHEMBL4475460 1 8.34
CHEMBL4591580 1 7.81
CHEMBL4456465 1 7.49
CHEMBL4462911 1 7.45
CHEMBL4536899 1 7.31
CHEMBL4472826 1 7.18
CHEMBL583969 PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER 1 6.68
CHEMBL4569080 1 6.62
CHEMBL1164951 PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER 1 6.59
CHEMBL4445938 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4585872 Ki = 3.33 nM 8.48
CHEMBL4475460 Ki = 4.57 nM 8.34
CHEMBL4591580 Ki = 15.4 nM 7.81
CHEMBL4456465 Ki = 32.2 nM 7.49
CHEMBL4462911 Ki = 35.7 nM 7.45
CHEMBL4536899 Ki = 49.1 nM 7.31
CHEMBL4472826 Ki = 65.4 nM 7.18
CHEMBL583969 PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER Ki = 207.0 nM 6.68
CHEMBL4569080 Ki = 238.0 nM 6.62
CHEMBL1164951 PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER Ki = 255.0 nM 6.59
CHEMBL4445938 Ki - -