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Assay Detail

CHEMBL4412989

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

Binding
Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation after 30 mins by calcein-AM dye based fluorescence assay
19
Total Activities
19
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type MDCK
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

ATP-dependent translocase ABCB1 (CHEMBL4302)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design, Biological Evaluation, and Molecular Modeling of Tetrahydroisoquinoline Derivatives: Discovery of A Potent P-Glycoprotein Ligand Overcoming Multidrug Resistance in Cancer Stem Cells.
Riganti C, Contino M, Guglielmo S, Perrone MG, Salaroglio IC, Milosevic V, Giampietro R, Leonetti F, Rolando B, Lazzarato L, Colabufo NA, Fruttero R.
J Med Chem (2019) 62 : 974 -986
PubMed 30584838 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 19 5.69 7.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4470288 1 7.82
CHEMBL4474280 1 6.50
CHEMBL260505 1 6.16
CHEMBL4546814 1 6.06
CHEMBL4472875 1 6.05
CHEMBL4593615 1 6.01
CHEMBL4435542 1 5.96
CHEMBL4529961 1 5.92
CHEMBL4470538 1 5.83
CHEMBL4454350 1 5.82
CHEMBL4435829 1 5.77
CHEMBL4558681 1 5.51
CHEMBL4551628 1 5.28
CHEMBL4483077 1 5.16
CHEMBL4543755 1 4.72
CHEMBL4590701 1 4.67
CHEMBL4461082 1 4.67
CHEMBL4442691 1 4.53
CHEMBL4522904 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4470288 EC50 = 15.3 nM 7.82
CHEMBL4474280 EC50 = 320.0 nM 6.50
CHEMBL260505 EC50 = 690.0 nM 6.16
CHEMBL4546814 EC50 = 870.0 nM 6.06
CHEMBL4472875 EC50 = 900.0 nM 6.05
CHEMBL4593615 EC50 = 980.0 nM 6.01
CHEMBL4435542 EC50 = 1100.0 nM 5.96
CHEMBL4529961 EC50 = 1200.0 nM 5.92
CHEMBL4470538 EC50 = 1470.0 nM 5.83
CHEMBL4454350 EC50 = 1520.0 nM 5.82
CHEMBL4435829 EC50 = 1700.0 nM 5.77
CHEMBL4558681 EC50 = 3100.0 nM 5.51
CHEMBL4551628 EC50 = 5200.0 nM 5.28
CHEMBL4483077 EC50 = 6930.0 nM 5.16
CHEMBL4543755 EC50 = 19200.0 nM 4.72
CHEMBL4590701 EC50 = 21400.0 nM 4.67
CHEMBL4461082 EC50 = 21200.0 nM 4.67
CHEMBL4442691 EC50 = 29500.0 nM 4.53
CHEMBL4522904 EC50 - -