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Assay Detail

CHEMBL2320303

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

Binding
Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay
33
Total Activities
33
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Solute carrier family 22 member 2 (CHEMBL1743122)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.
Wittwer MB, Zur AA, Khuri N, Kido Y, Kosaka A, Zhang X, Morrissey KM, Sali A, Huang Y, Giacomini KM.
J Med Chem (2013) 56 : 781 -795
PubMed 23241029 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 33 5.16 6.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL790 CHLORHEXIDINE 4.0 1 6.40
CHEMBL87563 GABEXATE 3.0 1 6.05
CHEMBL55 PENTAMIDINE 4.0 1 5.92
CHEMBL1502 PANTOPRAZOLE 4.0 1 5.82
CHEMBL46 ONDANSETRON 4.0 1 5.77
CHEMBL290106 BITHIONOL 4.0 1 5.72
CHEMBL691 ETHINYL ESTRADIOL 4.0 1 5.66
CHEMBL364713 NOSCAPINE 2.0 1 5.58
CHEMBL481 IRINOTECAN 4.0 1 5.57
CHEMBL1200629 VECURONIUM BROMIDE 4.0 1 5.46
CHEMBL941 IMATINIB 4.0 1 5.38
CHEMBL289469 GRANISETRON 4.0 1 5.37
CHEMBL1106 EPINASTINE 4.0 1 5.37
CHEMBL959 RIMANTADINE 4.0 1 5.36
CHEMBL48361 DABIGATRAN 3.0 1 5.33
CHEMBL723 CARVEDILOL 4.0 1 5.12
CHEMBL219916 DOMPERIDONE 3.0 1 5.10
CHEMBL603 ZAFIRLUKAST 4.0 1 5.01
CHEMBL360861 NIFEKALANT 3.0 1 4.99
CHEMBL85 RISPERIDONE 4.0 1 4.96
CHEMBL49 BUSPIRONE 4.0 1 4.92
CHEMBL2 PRAZOSIN 4.0 1 4.87
CHEMBL590799 CAMOSTAT 3.0 1 4.78
CHEMBL163 RITONAVIR 4.0 1 4.61
CHEMBL1423 PIMOZIDE 4.0 1 4.47
CHEMBL902 FAMOTIDINE 4.0 1 4.44
CHEMBL1732 DIHYDROERGOTAMINE 4.0 1 4.30
CHEMBL84 TOPOTECAN 4.0 1 4.21
CHEMBL58 MITOXANTRONE 4.0 1 4.13
CHEMBL339427 TUBOCURARINE 4.0 1 4.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL790 CHLORHEXIDINE IC50 = 400.0 nM 6.40
CHEMBL87563 GABEXATE IC50 = 900.0 nM 6.05
CHEMBL55 PENTAMIDINE IC50 = 1200.0 nM 5.92
CHEMBL1502 PANTOPRAZOLE IC50 = 1500.0 nM 5.82
CHEMBL46 ONDANSETRON IC50 = 1700.0 nM 5.77
CHEMBL290106 BITHIONOL IC50 = 1900.0 nM 5.72
CHEMBL691 ETHINYL ESTRADIOL IC50 = 2200.0 nM 5.66
CHEMBL364713 NOSCAPINE IC50 = 2600.0 nM 5.58
CHEMBL481 IRINOTECAN IC50 = 2700.0 nM 5.57
CHEMBL1200629 VECURONIUM BROMIDE IC50 = 3500.0 nM 5.46
CHEMBL941 IMATINIB IC50 = 4200.0 nM 5.38
CHEMBL289469 GRANISETRON IC50 = 4300.0 nM 5.37
CHEMBL1106 EPINASTINE IC50 = 4300.0 nM 5.37
CHEMBL959 RIMANTADINE IC50 = 4400.0 nM 5.36
CHEMBL48361 DABIGATRAN IC50 = 4700.0 nM 5.33
CHEMBL723 CARVEDILOL IC50 = 7500.0 nM 5.12
CHEMBL219916 DOMPERIDONE IC50 = 7900.0 nM 5.10
CHEMBL603 ZAFIRLUKAST IC50 = 9700.0 nM 5.01
CHEMBL360861 NIFEKALANT IC50 = 10300.0 nM 4.99
CHEMBL85 RISPERIDONE IC50 = 11000.0 nM 4.96
CHEMBL49 BUSPIRONE IC50 = 12000.0 nM 4.92
CHEMBL2 PRAZOSIN IC50 = 13600.0 nM 4.87
CHEMBL590799 CAMOSTAT IC50 = 16500.0 nM 4.78
CHEMBL163 RITONAVIR IC50 = 24800.0 nM 4.61
CHEMBL1423 PIMOZIDE IC50 = 34200.0 nM 4.47
CHEMBL902 FAMOTIDINE IC50 = 36100.0 nM 4.44
CHEMBL1732 DIHYDROERGOTAMINE IC50 = 49900.0 nM 4.30
CHEMBL84 TOPOTECAN IC50 = 61000.0 nM 4.21
CHEMBL58 MITOXANTRONE IC50 = 73300.0 nM 4.13
CHEMBL339427 TUBOCURARINE IC50 = 78800.0 nM 4.10
CHEMBL256907 MARAVIROC IC50 = 255000.0 nM -
CHEMBL1112 ARIPIPRAZOLE IC50 = 239000.0 nM -
CHEMBL5483011 INDINAVIR IC50 = 142000.0 nM -