The following is a curated dataset of 265 compounds derived from ChEMBL with the experimentally evaluated affinity to GLP-1R receptor. This dataset was used for development of validated GLP-1R QSAR model and can be downloaded as a single SDF file or ZIP of SDF files.
To browse this dataset go to the below Structure-Kinetics Viewer - SMViewer. There you can select a range of pEC50 and display the dataset compounds meeting this pEC50 criterion by clicking the 'Show' button.The following is a subset of the above ChEMBL-derived compounds. Here, only compounds similar to non-peptide agonist TT-OAD2 were listed. This dataset can be downloaded as a single SDF file or ZIP of SDF files.
To browse this dataset go to the below Structure-Kinetics Viewer - SMViewer. There you can select a range of pEC50 and display the dataset compounds meeting this pEC50 criterion by clicking the 'Show' button.The following is a subset of the ChEMBL-derived compounds for GLP-1R. Here, only compounds dissimilar to non-peptide agonist TT-OAD2 were listed. This dataset can be downloaded as a single SDF file or ZIP of SDF files.
To browse this dataset go to the below Structure-Kinetics Viewer - SMViewer. There you can select a range of pEC50 and display the dataset compounds meeting this pEC50 criterion by clicking the 'Show' button.