You can search ChEMBL open data base for looking into bioactive copmpounds of your interest. Or you can try with ZINC- a free database for commercially available bioactive copmpounds.
you can use DockBlaster http://blaster.docking.org/ for searching the reported inhibitors against a particular drug target which gives compounds from ZINC database with their ZINC id's
SwissSimilarity server (http://www.swisssimilarity.ch/) could predict the bioactive compounds from different database, and it is possible to download all the compound features by excel. Also, we can retrieve the .sdf or simile files from individual compound ftp sites.