New fluorinated 2-aryl-benzothiazoles, -benzoxazoles, and -chromen-4-ones have been synthesized and their activity against MCF-7 and MDA 468 breast cancer cell lines compared with the potent antitumor benzothiazole 5. Analogues such as 9a, b and 12a, d yielded submicromolar GI50 values in both cell lines; however, none of the new compounds approached 5 in terms of antitumor potency. For 5, binding to the aryl hydrocarbon receptor appeared to be necessary but not sufficient for growth inhibition. ..more
Related BioAssays
Related BioAssays
Target
| Sequence: RecName: Full=Aryl hydrocarbon receptor; Short=Ah receptor; Short=AhR; Flags: Precursor Description ..   Protein Family: PAS Comment .. Gene:AHR Related Protein 3D Structures |
BioActive Compound: 1
Description:
Title: Synthesis and biological properties of benzothiazole, benzoxazole, and chromen-4-one analogues of the potent antitumor agent 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (PMX 610, NSC 721648).
Abstract: New fluorinated 2-aryl-benzothiazoles, -benzoxazoles, and -chromen-4-ones have been synthesized and their activity against MCF-7 and MDA 468 breast cancer cell lines compared with the potent antitumor benzothiazole 5. Analogues such as 9a, b and 12a, d yielded submicromolar GI50 values in both cell lines; however, none of the new compounds approached 5 in terms of antitumor potency. For 5, binding to the aryl hydrocarbon receptor appeared to be necessary but not sufficient for growth inhibition.
(PMID: 18666770)
Abstract: New fluorinated 2-aryl-benzothiazoles, -benzoxazoles, and -chromen-4-ones have been synthesized and their activity against MCF-7 and MDA 468 breast cancer cell lines compared with the potent antitumor benzothiazole 5. Analogues such as 9a, b and 12a, d yielded submicromolar GI50 values in both cell lines; however, none of the new compounds approached 5 in terms of antitumor potency. For 5, binding to the aryl hydrocarbon receptor appeared to be necessary but not sufficient for growth inhibition.
(PMID: 18666770)
Comment
Compounds with activity <= 50uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.
Categorized Comment
ChEMBL Assay Type: Binding
ChEMBL Assay Data Source: Scientific Literature
ChEMBL Target ID: 101175
ChEMBL target type: Target is a single protein chain
ChEMBL Assay Data Source: Scientific Literature
ChEMBL Target ID: 101175
ChEMBL target type: Target is a single protein chain
Result Definitions
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| TID | Name | Description | Histogram | Type | Unit | |
|---|---|---|---|---|---|---|
| Outcome | The BioAssay activity outcome | Outcome | ||||
| 1 | IC50* | IC50 PubChem standard value |  | Float | μM | |
| 2 | IC50 activity comment | IC50 activity comment | String | |||
| 3 | IC50 standard flag | IC50 standard flag | | Integer | ||
| 4 | IC50 qualifier | IC50 qualifier | String | |||
| 5 | IC50 published value | IC50 published value | | Float | nM | |
| 6 | IC50 standard value | IC50 standard value | | Float | nM | |
| 7 | IC50 Binding Efficiency Index(nM) | IC50 Binding Efficiency Index(nM) | | Float | ||
| 8 | Surface Efficiency Index(nM) | Surface Efficiency Index(nM) | | Float | ||
| 9 | Ki activity comment | Ki activity comment | String | |||
| 10 | Ki standard flag | Ki standard flag | | Integer | ||
| 11 | Ki qualifier | Ki qualifier | String | |||
| 12 | Ki published value | Ki published value | | Float | nM | |
| 13 | Ki standard value | Ki standard value | | Float | nM | |
| 14 | Ki Binding Efficiency Index(nM) | Ki Binding Efficiency Index(nM) | | Float | ||
| 15 | Surface Efficiency Index(nM) | Surface Efficiency Index(nM) | | Float |
* Activity Concentration.
Data Table (Concise)
Classification
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