PubChem BioAssay statistics

info info

Citations per year


Tool usage distribution map

info info

Associated diseases


Popular tool citations

chevron_left Bioactivity databases chevron_right
Want to access the full stats & trends on this tool?


PubChem BioAssay specifications


Unique identifier OMICS_20150
Name PubChem BioAssay
Alternative name BioAssay
Restrictions to use None
Community driven No
Data access File download, Browse
User data submission Allowed
Maintained Yes


  • person_outline Yanli Wang

Additional information

Publications for PubChem BioAssay

PubChem BioAssay citations


High Throughput Effect Directed Analysis Using Downscaled in Vitro Reporter Gene Assays To Identify Endocrine Disruptors in Surface Water

PMCID: 5947935
PMID: 29547277
DOI: 10.1021/acs.est.7b06604

[…] entation patterns of the suspected structures retrieved from the mzCloud database ( or analyzed with MetFrag. Toxicological data of matching structures was retrieved from the Pubchem bioassay database ( or ToxCast database (; INVITRODB V2 SUMMARY database; gain-loss mo […]


Caveat Usor: Assessing Differences between Major Chemistry Databases

PMCID: 5900829
PMID: 29451740
DOI: 10.1002/cmdc.201700724

[…] hree named individuals exceed the 1000 cutoff, with SE at 7033 and two CS team members, DS with 2244 and SR with 1055.As we can see from Figure  PC also has many unique sources (while one of these is PubChem BioAssay, this can be classified as a collection of sub‐sources), but space limitations preclude more than a few to be noted here. It is useful to be able to read off the explicit uniqueness w […]


Metallochaperone UreG serves as a new target for design of urease inhibitor: A novel strategy for development of antimicrobials

PLoS Biol
PMCID: 5779714
PMID: 29320492
DOI: 10.1371/journal.pbio.2003887
call_split See protocol

[…] the potential inhibitors of UreG. A set of 1,700 compounds was collected from the PubChem [] and BindingDB [] databases for screening using AutoDock Vina []. A total of 300 compounds are active from PubChem Bioassay (AID No.: 588479, 588622, 759) that already detected as GTPase inhibitors [–]. Also, 1,400 compounds have been extracted from BindingDB by searching “G-protein” term as target name in […]


Structural ensemble based docking simulation and biophysical studies discovered new inhibitors of Hsp90 N terminal domain

Sci Rep
PMCID: 5762686
PMID: 29321504
DOI: 10.1038/s41598-017-18332-8

[…] ), ZINC01264822 (0.36, IC50 = 0.5 nM), ZINC18130036 (0.42, IC50 = 2 μM), and ZINC00421600 (0.34, IC50 = 50 μM) for 1–4, respectively (Fig. ). The data with ZINC18130036 and ZINC00421600 came from the PubChem BioAssay database (AID: 712). In order to compare the chemical similarity in detail, we employed the similarity ensemble approach (SEA). In SEA, the pairwise Tc values between two molecules ar […]


Dataset generated for Dissection of mechanisms of Trypanothione Reductase and Tryparedoxin Peroxidase through dynamic network analysis and simulations in leishmaniasis

PMCID: 5675996
PMID: 29159213
DOI: 10.1016/j.dib.2017.10.031
call_split See protocol

[…] In docking, the inhibitors were searched against TryR and Txnpx in Leishmania. The compounds were searched using PubChem Bioassay database from NCBI and also through various literature , , , , , . For TryR, it was found to be 57 inhibitors [] and for (Txnpx) it was found to be 17 inhibitors []. These inhibitors […]


Molecular Connectivity Predefines Polypharmacology: Aliphatic Rings, Chirality, and sp3 Centers Enhance Target Selectivity

Front Pharmacol
PMCID: 5581349
PMID: 28894419
DOI: 10.3389/fphar.2017.00552
call_split See protocol

[…] al Chemical Identifier) from the Supporting Information of and downloaded the 3D coordinates of 139,328 molecules from the PubChem Compound database ().The set of active compounds was extracted from PubChem BioAssay () using the list of 459 bioassays provided by . Active compounds (256,448) were extracted via their compound identifiers (CIDs), downloaded as 3D coordinates (237,510) and pooled to […]

Want to access the full list of citations?
PubChem BioAssay institution(s)
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, USA
PubChem BioAssay funding source(s)
Supported by the Intramural Research Program of the National Institutes of Health (NIH), National Library of Medicine (NLM).

PubChem BioAssay reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review PubChem BioAssay