4.0 years ago
What are you actually trying to achieve? Your question is extremely vague.
Do you just want a big collection of drug-like molecule? Grab GDB-17
Do you want a curated source of biologically interesting molecules? Go to ChEBI
Do you want small molecules with annotated activity? Try ChEMBL
Do you want small molecules bound to a protein? Try PDB
For docking, just go to any literature search engine and search for small molecule docking. You will get reviews, algorithms and papers describing software. There is plenty of literature, so start reading.
Edit: After several comments, it seems the interest lies in identifying any compound which may inhibit the activity of the given receptor. For this purpose I would suggest using ZINC, which also has vendor information.