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BioAssay: AID 588214

FDA HLAED, liver enzyme composite activity

The FDA's Spontaneous Reporting System (SRS) database contains over 1.5 million adverse drug reaction (ADR) reports for 8620 drugs/biologics that are listed for 1191 Coding Symbols for Thesaurus of Adverse Reaction (COSTAR) terms of adverse effects. We have linked the trade names of the drugs to 1861 generic names and retrieved molecular structures for each chemical to obtain a set of 1515 more ..
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 Tested Compounds
 Tested Compounds
All(487)
 
 
Active(76)
 
 
Unspecified(411)
 
 
 Tested Substances
 Tested Substances
All(501)
 
 
Active(78)
 
 
Unspecified(423)
 
 
 Related BioAssays
 Related BioAssays
AID: 588214
Data Source: ChEMBL (736787)
Depositor Category: Literature, Extracted
BioAssay Version:
Deposit Date: 2011-09-18
Modify Date: 2014-12-06

Data Table ( Complete ):           View Active Data    View All Data
BioActive Compounds: 76
Description:
Title: Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.

Abstract: The FDA's Spontaneous Reporting System (SRS) database contains over 1.5 million adverse drug reaction (ADR) reports for 8620 drugs/biologics that are listed for 1191 Coding Symbols for Thesaurus of Adverse Reaction (COSTAR) terms of adverse effects. We have linked the trade names of the drugs to 1861 generic names and retrieved molecular structures for each chemical to obtain a set of 1515 organic chemicals that are suitable for modeling with commercially available QSAR software packages. ADR report data for 631 of these compounds were extracted and pooled for the first five years that each drug was marketed. Patient exposure was estimated during this period using pharmaceutical shipping units obtained from IMS Health. Significant drug effects were identified using a Reporting Index (RI), where RI = (# ADR reports / # shipping units) x 1,000,000. MCASE/MC4PC software was used to identify the optimal conditions for defining a significant adverse effect finding. Results suggest that a significant effect in our database is characterized by > or = 4 ADR reports and > or = 20,000 shipping units during five years of marketing, and an RI > or = 4.0. Furthermore, for a test chemical to be evaluated as active it must contain a statistically significant molecular structural alert, called a decision alert, in two or more toxicologically related endpoints. We also report the use of a composite module, which pools observations from two or more toxicologically related COSTAR term endpoints to provide signal enhancement for detecting adverse effects.
(PMID: 16472241)
Comment
Putative Target:
ChEMBL Target ID: 103956
Target Type: PHENOTYPE
Pref Name: Hepatotoxicity
Confidence: Target assigned is non-molecular
Relationship Type: Non-molecular target assigned
Categorized Comment - additional comments and annotations
From ChEMBL:
Assay Type: ADME
Assay Data Source: Scientific Literature
Result Definitions
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TIDNameDescriptionHistogramTypeUnit
OutcomeThe BioAssay activity outcomeOutcome
1Composite Activity - Active activity commentComposite Activity - Active activity commentString
2Composite Activity - Active standard flagComposite Activity - Active standard flagInteger
3Composite Activity - Active qualifierComposite Activity - Active qualifierString
4Composite Activity - Active published valueComposite Activity - Active published valueFloat
5Composite Activity - Active standard valueComposite Activity - Active standard valueFloat
6Composite Activity - Marginal activity commentComposite Activity - Marginal activity commentString
7Composite Activity - Marginal standard flagComposite Activity - Marginal standard flagInteger
8Composite Activity - Marginal qualifierComposite Activity - Marginal qualifierString
9Composite Activity - Marginal published valueComposite Activity - Marginal published valueFloat
10Composite Activity - Marginal standard valueComposite Activity - Marginal standard valueFloat
11Composite Activity - Score activity commentComposite Activity - Score activity commentString
12Composite Activity - Score standard flagComposite Activity - Score standard flagInteger
13Composite Activity - Score qualifierComposite Activity - Score qualifierString
14Composite Activity - Score published valueComposite Activity - Score published valueFloat
15Composite Activity - Score standard valueComposite Activity - Score standard valueFloat

Data Table (Concise)
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