ChEMBL API

ChEMBL API enables BLAST-based sequence similarity searches against the curated ChEMBL database to analyze biological molecules such as monoclonal antibodies (mAbs) and associated bioactivity measurements.

Key Features:

• Extensive Database: Contains over 5.4 million bioactivity measurements for more than 1 million compounds and approximately 5200 protein targets manually abstracted from primary literature.
• Data Curation and Standardization: Records undergo rigorous curation and standardization to ensure accuracy and consistency for chemical biology and drug discovery analyses.
• Sequence Similarity Search: Leverages the Basic Local Alignment Search Tool (BLAST) algorithm to align query sequences against ChEMBL biological entries, enabling identification of sequence similarity.

Scientific Applications:

• Drug discovery: Identification of potential bioactive compounds and targets using sequence-aligned bioactivity data.
• Protein–ligand and ADMET investigations: Exploration of protein–ligand interactions and examination of ADMET-related data linked to bioactive compounds.
• Antibody and protein homology analysis: Identification of homologous proteins or antibodies (including mAbs) to infer evolutionary relationships and predict functional characteristics from sequence similarity.

Methodology:

Uses the BLAST algorithm to align query sequences against the ChEMBL database to find regions of similarity for identifying homologous proteins or antibodies and inferring functional and evolutionary relationships.