Combichem

You can use our server to do Combinatorial chemistry to create a virtual library of syntheticaly,

hmmm, this is just a list of urls to capture.

In ChEMBL, 1-10 uM, and an aggregator

http://gimel.compbio.ucsf.edu:8088/activities.txt?substance.features:contains=220&activity.affinity:between=5,6&catalog.short_name=chembl20&count=all

correct.

http://zinc15.docking.org:8015/substances/subsets/metabolites+purchasable?ecfp4.data:tanimoto=153

ecfp4.ecfp4_fk:lt=100000;

wget -o 3a.log -O 3a.smi http://localhost:8088/substances.txt:smiles,sub_id,purchasability?substance.structure:contains=[ND1]&catalog.bb=True&substance.purchasability:gt=9&count=all

1.23 M so far

purchasable in-man compounds http://zinc15.docking.org:8015/substances.txt?features:contains=213&substance.purchasability=boutique

http://zinc15.docking.org:8015/substances.txt?substance.features:contains=201&substance.purchasability=boutique

http://zinc15.docking.org:8015/substances.txt?substance.features:contains=201&substance.purchasability=on-demand

http://zinc15.docking.org:8015/substances.txt?substance.features:contains=201&substance.purchasability=in-stock

http://zinc15.docking.org:8015/substances.txt?substance.features:contains=201&substance.purchasability=premier

http://zinc15.docking.org:8015/substances/?inchikey:prefix=WSEQXVZVJXJVFP

http://zinc15.docking.org:8015/substances/ZINC000003794601.txt

http://zinc15.docking.org:8015/substances.txt:smiles,sub_id,dice,similarity?ecfp4.data:dice=zinc53

purchasable amines as building blocks

http://zinc15.docking.org:8015/substances.txt?substance.structure:contains=[ND1]&catalog.bb=True&substance.purchasability:gt=9

peroxide:

http://zinc15.docking.org:8015/substances/?substance.structure:contains=[O][O]

similar to dopamine

http://zinc15.docking.org:8015/substances/?ecfp4.data:tanimoto=33882

Back to ZINC15:Actions