05.2 ChEMBL

5.2 ChEMBL

ChEMBL is an open database of considerable amount of bioactivity data which comes from scientific literature, public databases, patents, etc. It is essentially useful for the drug discovery process.

1. You can find all the information classified in different forms.

2. For the search of targets, you can simply type in your target name and select it.

3. You can check information about the number of compounds which have been tested against the target in the “Compounds” section. Also, you can check the “Activities” section for IC50, Kd, Ki, etc.

4. By clicking on the ChEMBL ID, you will be able to see the “Target Report Card” page which contains all the available information about your selected target.

5. For the search of compounds, you can type in your compound’s name in the search bar such as MurD inhibitor.

Then you will get the compounds page where you can select the ones you want to check by simply tick the little square on the top right of each compound box (marked area 1). Or you can select all compounds in marked area 2.

6. To check the details of your preferred compounds, there are several options for you (marked area 2). Take “Browse Activities” as an example, compound structures, activities, assay, target and sources will all be shown. But especially, the bioactivities will be illustrated in the marked area below.

Note: pChEMBL = -log(IC50, XC50, AC50, Ki, Kd, Potency).

7. For a broader picture, click on the ChEMBL ID of your particular interest and you will open a “Compound Report Card” with all of the compound information listed (just like PubChem).