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79
compound sets
118,168
original compounds
105,223
standardized compounds
92,269
nonisomeric compounds
11,231
targets
286,267
compound-target associations
2,807
pathways
5,985
target/pathway classes
515
structural alerts
7,729
matched structural alerts
∞
filter combinations
Probes
&
Drugs
04.2022
COMPOUNDS
APPROVED DRUGS
PROBES
PROBE
TYPES
1,134
experimental
3,670
calculated
1,154
P&D approved
714
high-quality
249
obsolete
166
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. 04.2022
, the P&D compound database is composed of
79 sources
including
13 probe-related
,
7 drug compilations
,
42 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
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)
Oct. 13, 2022
P&D 03.2022 released with extended downloads, intersection matrix and free chemical probes
This year's third version of the Probes & Drugs portal (ver. 03.2022) was released with...
(read more)
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