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Assay Detail

CHEMBL754774

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

Binding
Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Cricetulus griseus
Confidence 8 — Homologous single protein target
Curated By Expert

Target

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

Publication

Pharmacophore model of drugs involved in P-glycoprotein multidrug resistance: explanation of structural variety (hypothesis).
Pajeva IK, Wiese M.
J Med Chem (2002) 45 : 5671 -5686
PubMed 12477351 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 12 5.67 7.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL83 TAMOXIFEN 4.0 1 7.00
CHEMBL772 RESERPINE 4.0 1 7.00
CHEMBL159 VINBLASTINE 4.0 1 5.89
CHEMBL197 DEXVERAPAMIL 2.0 1 5.80
CHEMBL6966 VERAPAMIL 4.0 1 5.60
CHEMBL633 AMIODARONE 4.0 1 5.50
CHEMBL631 PROPAFENONE 4.0 1 5.38
CHEMBL1294 QUINIDINE 4.0 1 5.30
CHEMBL422 TRIFLUOPERAZINE 4.0 1 5.19
CHEMBL71 CHLORPROMAZINE 4.0 1 4.91
CHEMBL570 TRIFLUPROMAZINE 4.0 1 4.80
CHEMBL452861 LEVOPROPRANOLOL 2.0 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL83 TAMOXIFEN Ki = 100.0 nM 7.00
CHEMBL772 RESERPINE Ki = 100.0 nM 7.00
CHEMBL159 VINBLASTINE Ki = 1300.0 nM 5.89
CHEMBL197 DEXVERAPAMIL Ki = 1600.0 nM 5.80
CHEMBL6966 VERAPAMIL Ki = 2500.0 nM 5.60
CHEMBL633 AMIODARONE Ki = 3200.0 nM 5.50
CHEMBL631 PROPAFENONE Ki = 4200.0 nM 5.38
CHEMBL1294 QUINIDINE Ki = 5000.0 nM 5.30
CHEMBL422 TRIFLUOPERAZINE Ki = 6500.0 nM 5.19
CHEMBL71 CHLORPROMAZINE Ki = 12200.0 nM 4.91
CHEMBL570 TRIFLUPROMAZINE Ki = 15700.0 nM 4.80
CHEMBL452861 LEVOPROPRANOLOL Ki = 170000.0 nM -