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81
compound sets
121,513
original compounds
108,374
standardized compounds
95,002
nonisomeric compounds
11,842
targets
292,418
compound-target associations
2,812
pathways
5,993
target/pathway classes
515
structural alerts
7,740
matched structural alerts
∞
filter combinations
Probes
&
Drugs
01.2023
COMPOUNDS
APPROVED DRUGS
PROBES
PROBE
TYPES
1,152
experimental
3,670
calculated
1,161
P&D approved
729
high-quality
251
obsolete
170
free of charge
probe
P&D approved
Glucocorticoid receptor
Kinase
similar to Imatinib
nuisance compounds
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
chemical probes
and
drugs
but it also includes additional relevant sets from specialist databases/scientific publications, and vendor sets. Upon these, established bioactive chemistry sources (such as
ChEMBL
,
BindingDB
,
Guide To Pharmacology
,
DrugCentral
or
DrugBank
) are utilized for compounds' biological annotation. As of
ver. 01.2023
, the P&D compound database is composed of
81 sources
including
13 probe-related
,
7 drug compilations
,
44 academic/non-commercial sets
and
15 precompiled sets from bioactive compound vendors
.
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FAQ
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Examples of complex queries
1
What chemical probes are also approved drugs?
2
Which approved drugs bind to Glucocorticoid and Mineralocrticoid receptor with at least 1 nM potency?
3
What potent GPCR ligands are also potent Kinase ligands?
4
What chemical probes are highly-rated at the Chemical Probes Portal as well as Probes & Drugs?
5
What is the intersection of compounds in DrugBank, DrugCentral and ChEMBL Approved Drugs set?
6
What chemical probes are associated with at least one structural alert (PAINS, nuisance compounds, obsolete structure)?
7
What potent ligands of Estrogen receptor α are dissimilar to Estradiol?
8
What chemical probes are, based on available data, meeting the biochemical potency (100nM) and on target cell-based potency (1µM) criteria?
Latest news
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...
(read more)
Jan. 6, 2023
P&D 04.2022 has surpassed 100k standardized compounds
At the beginning of the year 2023, we released a new version of the Probes...
(read more)
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