Subsets

Please give us feed-back if you are interested in files that contain compounds that have a predicted biological effect. Please send an email to softwareATakosgmbh.de.

Instructions:

Download PCC from www.akosgmbh.de/pcc/downloads.htm, download the data files from the table below.

Unpack the download file in the PCC db folder and copy the downloaded PCC form file to the PCC forms folder.

Start PCC and use the File-Select datasource menu item. Click on the Continue button and open the unpacked spreadsheet. Select the default schema and open the default form.

For browsing/searching the complete database, use the Form-Open menu item and open the downloaded PCC form (extension *.frm).

		Files with high Pa. Most compounds are active, many actives are missing
		Excel Format suitable for PCC	Form files for PCC	Database format for ISIS/Base	SDFile format	InChI Numbers
Some natural compounds from OWH		naturalcompounds_new.xls	pass_complete.frm
Various screening sample files with all PASS parameters Pa > 0.7		akj0506.zip	akj0506_largescreen.frm akj0506_smallscreen.frm
		akb_stock1204.zip	akb_stock1204_largescreen.frm akb_stock1204_smallscreen.frm
		akh0706.zip	akh0706_largescreen.frm akh0706_smallscreen.frm
		akhr0706.zip	akhr0706_largescreen.frm akhr0706_smallscreen.frm
		akibbs1006.zip	akibbs1006_largescreen.frm akibbs1006_smallscreen.frm
		aksbb0706.zip	aksbb0706_largescreen.frm aksbb0706_smallscreen.frm
		aku_stock_1205.zip	aku_stock_1205_largescreen.frm aku_stock_1205_smallscreen.frm
		organics_0104.zip	organics_0104_largescreen.frm organics_0104_smallscreen.frm
Abortion inducer
	Oxytocin agonist
	Prostaglandin E2 agonist
	Prostaglandin F2 alpha agonist
	Acetylcholine muscarinic agonist
	Alpha 1 adrenoreceptor agonist
	Alpha adrenoreceptor agonist
	Progesterone antagonist
Acetylcholine release stimulant
	Acetylcholine agonist
	5 Hydroxytryptamine 3 agonist
	Cholinergic agonist
	Cholinergic
Acute neurologic disorders treatment
	Endothelin A receptor antagonist
	Nootropic
	Endothelin B receptor antagonist
	Opioid kappa receptor agonist
	Glutamate release inhibitor
	Adenosine A1 receptor agonist
	Bradykinin B2 receptor antagonist
	Calcium channel antagonist
	Calpain inhibitor
	Dopamine release inhibitor
	Lipid peroxidase inhibitor
	Nitric oxide synthase inhibitor
	NMDA receptor antagonist
	Cannabinoid receptor agonist
	3 Hydroxyanthranilate oxygenase inhibitor
	Adenosine uptake inhibitor
	AMPA receptor antagonist
	Antioxidant
	Excitatory amino acid antagonist
	Kainate receptor antagonist
	Glutamate (mGluR1) antagonist
Allergic conjunctivitis treatment
	Histamine antagonist
	Histamine H1 receptor antagonist
	Leukotriene D4 antagonist
	Antipruritic
	Lipoxygenase inhibitor
	Antiallergic
and many more …