matched structural alerts
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
6 drug compilations
40 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?
April 8, 2022
P&D 01.2022 is out with new probes, latest ChEMBL and updated HQCP set
The first version of P&D in 2022 (01.2022) was released today with a bunch of...
Dec. 7, 2021
P&D 04.2021 is out with the ReFrame library and Inxight Approved Drugs sets
The last release of P&D portal this year (ver. 04.2021) is out with some minor...
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2016 - 2022 P&D portal 01.2022