matched structural alerts
free of charge
similar to Imatinib
The Probes & Drugs portal (P&D)
is a hub for the integration of high-quality bioactive compound sets enabling their analysis and comparison. Its main focus is on
but it also includes additional relevant sets from specialist databases/scientific publications, and vendor sets. Upon these, established bioactive chemistry sources (such as
Guide To Pharmacology
) are utilized for compounds' biological annotation. As of
, the P&D compound database is composed of
10 drug compilations
44 academic/non-commercial sets
15 precompiled sets from bioactive compound vendors
Examples of complex queries
What chemical probes are also approved drugs?
Which approved drugs bind to Glucocorticoid and Mineralocrticoid receptor with at least 1 nM potency?
What potent GPCR ligands are also potent Kinase ligands?
What chemical probes are highly-rated at the Chemical Probes Portal as well as Probes & Drugs?
What is the intersection of compounds in DrugBank, DrugCentral and ChEMBL Approved Drugs set?
What chemical probes are associated with at least one structural alert (PAINS, nuisance compounds, obsolete structure)?
What potent ligands of Estrogen receptor α are dissimilar to Estradiol?
What chemical probes are, based on available data, meeting the biochemical potency (100nM) and on target cell-based potency (1µM) criteria?
Oct. 9, 2023
P&D 02.2023 is out with probe controls set, highlighted selectivity and target family distribution
The second version of the Probes & Drugs portal this year - 02.2023 - was...
April 26, 2023
P&D 01.2023 is out with new datasets, an updated HQCP set and SQLite database
As of today, a new version of the P&D portal (01.2023) is available with two brand...
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2016 - 2023 P&D portal 02.2023