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Assay Detail

CHEMBL4049313

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

Binding
Inhibition of Ebolavirus glycoprotein/matrix protein VP40 entry in human HeLa cells after 4.5 hrs beta-lactamase reporter assay
28
Total Activities
28
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Ebolavirus
Cell Type HeLa
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors.
Capuzzi SJ, Sun W, Muratov EN, Martínez-Romero C, He S, Zhu W, Li H, Tawa G, Fisher EG, Xu M, Shinn P, Qiu X, García-Sastre A, Zheng W, Tropsha A.
J Med Chem (2018) 61 : 3582 -3594
PubMed 29624387 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 27 5.59 7.18
EC50 1 7.32 7.32

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL159 VINBLASTINE 4.0 1 7.32
CHEMBL553025 VINORELBINE 4.0 1 7.18
CHEMBL90555 VINCRISTINE 4.0 1 6.85
CHEMBL238071 VINDESINE 3.0 1 6.57
CHEMBL83 TAMOXIFEN 4.0 1 6.14
CHEMBL569864 1 6.01
CHEMBL1626 CLEMASTINE 4.0 1 5.96
CHEMBL449782 CEPHARANTHINE 2.0 1 5.82
CHEMBL2137046 1 5.71
CHEMBL176045 FANCHININ 1 5.67
CHEMBL184412 DRONEDARONE 4.0 1 5.66
CHEMBL116590 1 5.58
CHEMBL1093458 ENDOXIFEN 3.0 1 5.52
CHEMBL399021 1 5.52
CHEMBL46740 BAZEDOXIFENE 4.0 1 5.46
CHEMBL288441 BOSUTINIB 4.0 1 5.42
CHEMBL45816 MIBEFRADIL 4.0 1 5.37
CHEMBL609109 THIOPROPERAZINE 2.0 1 5.37
CHEMBL4064522 1 5.21
CHEMBL1946186 DEPTROPINE 2.0 1 5.18
CHEMBL4084475 1 5.17
CHEMBL471728 1 5.17
CHEMBL4094679 1 5.12
CHEMBL491473 CEDIRANIB 3.0 1 5.12
CHEMBL1213033 APRINDINE 2.0 1 5.11
CHEMBL305660 EBASTINE 4.0 1 5.02
CHEMBL346178 OSANETANT 2.0 1 5.01
CHEMBL939 GEFITINIB 4.0 1 5.01

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL159 VINBLASTINE EC50 = 48.0 nM 7.32
CHEMBL553025 VINORELBINE IC50 = 66.0 nM 7.18
CHEMBL90555 VINCRISTINE IC50 = 141.0 nM 6.85
CHEMBL238071 VINDESINE IC50 = 272.0 nM 6.57
CHEMBL83 TAMOXIFEN IC50 = 730.0 nM 6.14
CHEMBL569864 IC50 = 966.0 nM 6.01
CHEMBL1626 CLEMASTINE IC50 = 1100.0 nM 5.96
CHEMBL449782 CEPHARANTHINE IC50 = 1530.0 nM 5.82
CHEMBL2137046 IC50 = 1960.0 nM 5.71
CHEMBL176045 FANCHININ IC50 = 2160.0 nM 5.67
CHEMBL184412 DRONEDARONE IC50 = 2200.0 nM 5.66
CHEMBL116590 IC50 = 2640.0 nM 5.58
CHEMBL1093458 ENDOXIFEN IC50 = 3050.0 nM 5.52
CHEMBL399021 IC50 = 3050.0 nM 5.52
CHEMBL46740 BAZEDOXIFENE IC50 = 3430.0 nM 5.46
CHEMBL288441 BOSUTINIB IC50 = 3850.0 nM 5.42
CHEMBL45816 MIBEFRADIL IC50 = 4320.0 nM 5.37
CHEMBL609109 THIOPROPERAZINE IC50 = 4320.0 nM 5.37
CHEMBL4064522 IC50 = 6090.0 nM 5.21
CHEMBL1946186 DEPTROPINE IC50 = 6580.0 nM 5.18
CHEMBL4084475 IC50 = 6830.0 nM 5.17
CHEMBL471728 IC50 = 6830.0 nM 5.17
CHEMBL4094679 IC50 = 7670.0 nM 5.12
CHEMBL491473 CEDIRANIB IC50 = 7670.0 nM 5.12
CHEMBL1213033 APRINDINE IC50 = 7690.0 nM 5.11
CHEMBL305660 EBASTINE IC50 = 9560.0 nM 5.02
CHEMBL346178 OSANETANT IC50 = 9650.0 nM 5.01
CHEMBL939 GEFITINIB IC50 = 9680.0 nM 5.01