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76
compound sets
97,381
original compounds
85,082
standardized compounds
73,360
nonisomeric compounds
10,922
targets
238,309
compound-target associations
2,762
pathways
5,913
target/pathway classes
515
structural alerts
7,696
matched structural alerts
∞
filter combinations
Probes
&
Drugs
01.2022
COMPOUNDS
DRUGS
PROBES
1,068
experimental
probes
3,670
calculated
probes
1,139
P&D approved
probes
669
high-quality
probes
247
obsolete
probes
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. 01.2022
, the P&D compound database is composed of
76 sources
including
13 probe-related
,
6 drug compilations
,
40 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 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...
(read more)
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...
(read more)
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