Inhibition of sEH is hypothesized to lead to an increase in epoxyeicosatrienoic acids resulting in the potentiation of their anti-inflammatory and vasodilatory effects. In an effort to explore sEH inhibition as an avenue for the development of vasodilatory and cardio- or renal-protective agents, a lead identified through high-throughput screening was optimized, guided by the determination of a more ..
Related BioAssays
Related BioAssays
Target
BioActive Compounds: 14
Description:
Title: Optimization of piperidyl-ureas as inhibitors of soluble epoxide hydrolase.
Abstract: Inhibition of sEH is hypothesized to lead to an increase in epoxyeicosatrienoic acids resulting in the potentiation of their anti-inflammatory and vasodilatory effects. In an effort to explore sEH inhibition as an avenue for the development of vasodilatory and cardio- or renal-protective agents, a lead identified through high-throughput screening was optimized, guided by the determination of a solid state co-structure with sEH. Replacement of potential toxicophores was followed by optimization of cell-based potency and ADME properties to provide a new class of functionally potent sEH inhibitors with attractive in vitro metabolic profiles and high and sustained plasma exposures after oral administration in the rat.
(PMID: 19969453)
Abstract: Inhibition of sEH is hypothesized to lead to an increase in epoxyeicosatrienoic acids resulting in the potentiation of their anti-inflammatory and vasodilatory effects. In an effort to explore sEH inhibition as an avenue for the development of vasodilatory and cardio- or renal-protective agents, a lead identified through high-throughput screening was optimized, guided by the determination of a solid state co-structure with sEH. Replacement of potential toxicophores was followed by optimization of cell-based potency and ADME properties to provide a new class of functionally potent sEH inhibitors with attractive in vitro metabolic profiles and high and sustained plasma exposures after oral administration in the rat.
(PMID: 19969453)
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: 11727
ChEMBL target type: Target is a single protein chain
ChEMBL Assay Data Source: Scientific Literature
ChEMBL Target ID: 11727
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 | BEI | Binding Efficiency Index(nM) | | Float | ||
| 3 | SEI | Surface Efficiency Index(nM) | | Float | ||
| 4 | EC50 activity comment | EC50 activity comment | String | |||
| 5 | EC50 standard flag | EC50 standard flag | | Integer | ||
| 6 | EC50 qualifier | EC50 qualifier | String | |||
| 7 | EC50 published value | EC50 published value | | Float | nM | |
| 8 | EC50 standard value | EC50 standard value | | Float | nM | |
| 9 | EC50 binding domains | EC50 binding domains | String | |||
| 10 | IC50 activity comment | IC50 activity comment | String | |||
| 11 | IC50 standard flag | IC50 standard flag | | Integer | ||
| 12 | IC50 qualifier | IC50 qualifier | String | |||
| 13 | IC50 published value | IC50 published value | | Float | nM | |
| 14 | IC50 standard value | IC50 standard value | | Float | nM | |
| 15 | IC50 binding domains | IC50 binding domains | String |
* Activity Concentration.
Data Table (Concise)
Classification
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