jablonkagroup/cav3_t-type_calcium_channels_butkiewicz
Dataset Details Dataset Description This dataset was initially curated from HTS data at the PubChem database. The curation process is documented in Butkiewicz et al. Primary screening with AID 449739 identified inhibitors of Cav3 T-type calcium channels. Four follow-up screens were performed to confirm inhibitory effects on smaller sets of compounds involving AID 493021, AID 493022, AID 493023, and AID 493041. AID 489005 was performed as counter screen validating… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/cav3_t-type_calcium_channels_butkiewicz.
Dataset Details
Dataset Description
This dataset was initially curated from HTS data at the PubChem database. The curation process is documented in Butkiewicz et al. Primary screening with AID 449739 identified inhibitors of Cav3 T-type calcium channels. Four follow-up screens were performed to confirm inhibitory effects on smaller sets of compounds involving AID 493021, AID 493022, AID 493023, and AID 493041. AID 489005 was performed as counter screen validating active compounds of the primary screen.
- Curated by:
- License: CC BY 4.0
Dataset Sources
Citation
<!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->
BibTeX:
@article{Butkiewicz2013,
doi = {10.3390/molecules18010735},
url = {https://doi.org/10.3390/molecules18010735},
year = {2013},
month = jan,
publisher = {{MDPI} {AG}},
volume = {18},
number = {1},
pages = {735--756},
author = {Mariusz Butkiewicz and Edward Lowe and Ralf Mueller and Jeffrey Mendenhall
and Pedro Teixeira and C. Weaver and Jens Meiler},
title = {Benchmarking Ligand-Based Virtual High-Throughput Screening with the {PubChem} Database},
journal = {Molecules}}
@article{Kim2018,
doi = {10.1093/nar/gky1033},
url = {https://doi.org/10.1093/nar/gky1033},
year = {2018},
month = oct,
publisher = {Oxford University Press ({OUP})},
volume = {47},
number = {D1},
pages = {D1102--D1109},
author = {Sunghwan Kim and Jie Chen and Tiejun Cheng and Asta Gindulyte and Jia He and Siqian He
and Qingliang Li and Benjamin A Shoemaker and Paul A Thiessen and Bo Yu and Leonid Zaslavsky
and Jian Zhang and Evan E Bolton},
title = {{PubChem} 2019 update: improved access to chemical data},
journal = {Nucleic Acids Research}}
@article{Butkiewicz2017,
doi = {},
url = {https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5962024/},
year = {2017},
publisher = {Chem Inform},
volume = {3},
number = {1},
author = {Butkiewicz, M. and Wang, Y. and Bryant, S. H. and Lowe, E. W. and Weaver, D. C.
and Meiler, J.},
title = {{H}igh-{T}hroughput {S}creening {A}ssay {D}atasets from the {P}ub{C}hem {D}atabase}},
journal = {Chemical Science}}