The following is a curated dataset of 650 compounds derived from ChEMBL with the experimentally evaluated affinity to GCGR receptor. This dataset was used for development of validated GCGR 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 pIC50 and display the dataset compounds meeting this pIC50 criterion by clicking the 'Show' button.The following is a subset of the above ChEMBL-derived compounds. Here, only compounds similar to negative allosteric modulator NNC0640 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 pIC50 and display the dataset compounds meeting this pIC50 criterion by clicking the 'Show' button.The following is a subset of the ChEMBL-derived compounds for GCGR. Here, only compounds dissimilar to negative allosteric modulator NNC0640 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 pIC50 and display the dataset compounds meeting this pIC50 criterion by clicking the 'Show' button.