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ChEMBL Data Deposition Guide
  • Introduction
  • Overview
    • Source Identifier
    • Depositor-Defined Identifiers
      • AIDX
      • RIDX
      • CIDX
    • File types and names
  • File structure
    • File hierarchy
    • Simplified input data schema
    • Deposition file list
    • Field names and data types - basic submission
      • The CONTACT field
      • ACTION_TYPE valid names
      • TARGET_TYPE list
      • Adding context using the ACTIVITY_PROPERTIES file
    • The ASSAY_DESCRIPTION field
  • Complex results sets
    • Linking files through depositor defined IDs
    • Linking multiple result types using TEOID
    • Supplementary data in the ACTIVITY_SUPP file
    • Flexible SAMID mapping
    • Field names and data types - more complex data types
  • Example dataset
  • Common data issues
  • Advanced features and documentation
  • Depositing activities against other depositors entities
  • Creating a COMPOUND_CTAB file from a file containing SMILES strings
  • FAQs
  • Glossary
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  1. File structure

The ASSAY_DESCRIPTION field

Assay descriptions should capture the method, overall assay aim, target plus isoform/mutation details and any other biological entities present in the assay.

These examples all cover protein-based functional and binding assays

Examples:

Activation of GAL4 fused human LXR alpha expressed in HEK293 cells after 24 hrs by luciferase reporter gene assay

Agonist activity at PPARgamma in human HepG2 cells without THRA knockdown assessed as induction of CD36 expression at 1 uM incubated for 8 hrs in by Western blot analysis

Biased agonist activity at human 5-HT1A receptor stably expressed in CHO-K1 cells assessed as increase in ERK1/2 phosphorylation after 15 mins by Alphalisa assay

Binding affinity against glycine binding site associated with N-methyl-D-aspartate glutamate receptor from rat synaptic plasma membrane(SPM) determined using [3H]glycine as radioligand.

Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells

Noncompetitive inhibition of histidine-tagged human recombinant ABL T315I mutant expressed in baculovirus system by Lineweaver-Burke plot analysis using ATP as substrate

Inhibition of human Abl T315I mutant at 10 uM after 60 mins by TR-FRET assay

PreviousAdding context using the ACTIVITY_PROPERTIES fileNextComplex results sets

Last updated 2 years ago