Pharmacologically active compounds
| ADCdb | Shen L., Sun X., Chen Z., Guo Y., Shen Z., Song Y., Xin W., Ding H., Ma X., Xu W., Zhou W., Che J., Tan L., Chen L., Chen S., Dong X., Fang L., Zhu F., ADCdb: the database of antibody–drug conjugates. Nucleic Acids Research, 2024, 52, D1097–D1109. Abstract |
| ADReCS-Target | Huang L.-H., He Q.-S., Liu K., Cheng J., Zhong M.-D., Chen L.-S., Yao L.-X., Ji Z.-L., ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Research, 2018, 46, D911–D917. Abstract |
| AICD | Wang K., Xiao J., Liu X., Jiang Z., Zhan Y., Yin T., He L., Zhang F., Xing S., Chen B., Li Y., Zhang F., Kuang Z., Du B., Gu J., AICD: an integrated anti-inflammatory compounds database for drug discovery. Scientific Reports, 2019, 9, Article No 7737. Abstract |
| AMDD | Danishuddin M., Kaushal L., Baig M. H., Khan A. U., AMDD: Antimicrobial Drug Database. Genomics, Proteomics & Bioinformatics, 2012, 10, 360–363. Abstract |
| AntiCancer Standard Agents | Providers: National Cancer Institute and National Institutes of Health |
| anti-HCoV | Monticolo F., Palomba E., Santis R., Assentato L., Triscino V., Langella M. C., Lanzotti V., Chiusano M. L., anti-HCoV: A web resource to collect natural compounds against human coronaviruses. Trends in Food Science & Technology, 2020, 106, 1-11. Abstract |
| Antimicrobial Combination Networks | Jorge P., Pérez-Pérez M., Pérez Rodríguez G., Fdez-Riverola F., Pereira M. O., Lourenço A., Construction of antimicrobial peptide-drug combination networks from scientific literature based on a semi-automated curation workflow. Database, 2016, Article No baw143. Abstract |
| Antimicrobial Compounds Database | Malloci G., Vargiu A. V., Serra G., Bosin A., Ruggerone P., Ceccarelli M., A database of force-field parameters, dynamics, and properties of antimicrobial compounds. Molecules, 2015, 20, 13997-14021. Abstract |
| AODB | Deng W., Chen Y., Sun X., Wang L., AODB: A comprehensive database for antioxidants including small molecules, peptides and proteins. Food Chemistry, 2023, 418, Article No 135992. Abstract |
| ASDCD | Chen X., Ren B., Chen M., Liu M.-X., Ren W., Wang Q.-X., Zhang L.-X., Yan G.-X., ASDCD: Antifungal Synergistic Drug Combination Database. PLoS ONE, 2014, 9, Article No e86499. Abstract |
| BATMAN-TCM | Kong X., Liu C., Zhang Z., Cheng M., Mei Z., Li X., Liu P., Diao L., Ma Y., Jiang P., Kong X., Nie S., Guo Y., Wang Z., Zhang X., Wang Y., Tang L., Guo S., Liu Z., Li D., BATMAN-TCM 2.0: an enhanced integrative database for known and predicted interactions between traditional Chinese medicine ingredients and target proteins. Nucleic Acids Research, 2024, 52, D1110–D1120. Abstract |
| BIDD website | Provider: National University of Singapore |
| BioM2MetDisease | Xu Y., Yang H., Wu T., Dong Q., Sun Z., Shang D., Li F., Xu Y., Su F., Liu S., Zhang Y., Li X., BioM2MetDisease: a manually curated database for associations between microRNAs, metabolites, small molecules and metabolic diseases. Database, 2017, Article No bax037. Abstract |
| BioPhytMol | Sharma A., Dutta P., Sharma M., Rajput N. K., Dodiya B., Georrge J. J., Kholia T., OSDD Consortium, Bhardwaj A., BioPhytMol: a drug discovery community resource on anti-mycobacterial phytomolecules and plant extracts. Journal of Cheminformatics, 2014, 6, Article No 46. Abstract |
| Canada Vigilance adverse reaction online database | Provider: Government of Canada |
| CancerDR | Kumar R., Chaudhary K., Gupta S., Singh H., Kumar S., Gautam A., Kapoor P., Raghava G. P. S., CancerDR: cancer drug resistance database. Scientific Reports, 2013, 3, Article No 1445. Abstract |
| CancerResource | Gohlke B.-O., Nickel J., Otto R., Dunkel M., Preissner R., CancerResource-updated database of cancer-relevant proteins, mutations and interacting drugs. Nucleic Acids Research, 2016, 44, D932–D937. Abstract |
| CandActCFTR | Provider: Universitätzmedizin Göttingen |
| canSAR | Gingrich P. W., Chitsazi R., Biswas A., Jiang C., Zhao L., Tym J. E., Brammer K. M., Li J., Shu Z., Maxwell D. S., Tacy J. A., Mica J. L., Darkoh M., di Micco P., Russell K. P., Workman P., Al-Lazikani B., canSAR 2024—an update to the public drug discovery knowledgebase. Nucleic Acids Research, 2025, 53, D1287–D1294. Abstract |
| CARD | Jia B., Raphenya A. R., Alcock B., Waglechner N., Guo P., Tsang K. K., Lago B. A., Dave B. M., Pereira S., Sharma A. N., Doshi S., Courtot M., Lo R., Williams L., Frye J. G., Elsayegh T., Sardar D., Westman E. L., Pawlowski A. C., Johnson T. A., Brinkman F. S. L., Wright G. D., McArthur A. G., CARD 2017: expansion and model-centric curation of the comprehensive antibiotic resistance database. Nucleic Acids Research, 2017, 45, D566–D573. Abstract |
| CeDR Atlas | Wang Y.-Y., Kang H., Xu T., Hao L., Bao Y., Jia P., CeDR Atlas: a knowledgebase of cellular drug response. Nucleic Acids Research, 2022, 50, D1164–D1171. Abstract |
| CEMTDD | Huang J., Wang J., CEMTDD: Chinese Ethnic Minority Traditional Drug Database. Apoptosis, 2014, 19, 1419-1420. Abstract |
| CFam | Zhang C., Tao L., Qin C., Zhang P., Chen S., Zeng X., Xu F., Chen Z., Yang S. Y., Chen Y. Z., CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering. Nucleic Acids Research, 2015, 43, D558–D565. Abstract |
| Chemical Checker | Duran-Frigola M., Pauls E., Guitart-Pla O., Bertoni M., Alcalde V., Amat D., Juan-Blanco T., Aloy P., Extending the small-molecule similarity principle to all levels of biology with the Chemical Checker. Nature Biotechnology, 2020, 38, 1087-1096. Abstract |
| ClinicalTrials | Provider: National Institutes of Health |
| ClusterMine360 | Conway K. R., Boddy C. N., ClusterMine360: A database of microbial PKS/NRPS biosynthesis. Nucleic Acids Research, 2013, 41, D402-D407. Abstract |
| CMAUP | Zeng X., Zhang P, Wang Y., Qin C., Chen S., He W., Tao L., Tan Y., Gao D., Wang B., Chen Z., Chen W., Jiang Y. Y., Chen Y. Z., CMAUP: a database of collective molecular activities of useful plants. Nucleic Acids Research, 2019, 47, D1118–D1127. Abstract |
| ConjuPepDB | Balogh B., Ivánczi M., Nizami B., Beke-Somfai T., Mándity I. M., ConjuPepDB: a database of peptide–drug conjugates. Nucleic Acids Research, 2021, 49, D1102–D1112. Abstract |
| COVID19db | Zhang W., Zhang Y., Min Z., Mo J., Ju Z., Guan W., Zeng B., Liu Y., Chen J., Zhang Q., Li H., Zeng C., Wei Y., Chan G.-C.-F., COVID19db: a comprehensive database platform to discover potential drugs and targets of COVID-19 at whole transcriptomic scale. Nucleic Acids Research, 2022, 50, D747–D757. Abstract |
| COVID-19 Drug Candidates | Duran-Frigola M., Bertoni M., Blanco R., Martínez V., Pauls E., Alcalde V., Turon G., Villegas N., Fernández-Torras A., Pons C., Mateo L., Guitart-Pla O., Badia-i-Mompel P., Gimeno A., Soler N., Brun-Heath I., Zaragoza H., Aloy P., Bioactivity profile similarities to expand the repertoire of COVID-19 drugs. Journal of Chemical Information and Modeling, 2020, 60, 5730-5734. Abstract |
| COVID19 Drug Repository | Tworowski D., Gorohovski A., Mukherjee S., Carmi G., Levy E., Detroja R., Mukherjee S., Frenkel-Morgenstern M., COVID19 Drug Repository: text-mining the literature in search of putative COVID19 therapeutics. Nucleic Acids Research, 2021, 49, D1113–D1121. Abstract |
| CPADS | Li K., Yang H., Lin A., Xie J., Wang H., Zhou J., Carr S. R., Liu Z., Li X., Zhang J., Cheng Q., Schrump D. S., Luo P., Wei T., CPADS:a web tool for comprehensive pancancer analysis of drug sensitivity. Briefings in Bioinformatics, 2024, 25, Article No bbae237. Abstract |
| CPMCP | Sun C., Huang J., Tang R., Li M., Yuan H., Wang Y., Wei J.-M., Liu J., CPMCP: a database of Chinese patent medicine and compound prescription. Database, 2022, Article No baac073. Abstract |
| CVDHD | Gu J., Gui Y., Chen L., Yuan G., Xu X., CVDHD: a cardiovascular disease herbal database for drug discovery and network pharmacology. Journal of Cheminformatics, 2013, 5, Article No 51. Abstract |
| DAPredict | Meng Q., Cai Y., Zhou K., Xu F., Huo D., Xie H., Yu M., Zhang D., Chen X., DAPredict: a database for drug action phenotype prediction. Database, 2024, baad095. Abstract |
| DART | Ji Z. L., Han L. Y., Yap C. W., Sun L. Z., Chen X., Chen Y. Z., DART: Drug Adverse Reaction Target Database. Drug Safety, 2003, 26, 685-690. Abstract |
| DCABM-TCM | Liu X., Liu J., Fu B., Chen R., Jiang J., Chen H., Li R., Xing L., Yuan L., Chen X., Zhang J., Li H., Guo S., Guo F., Guo J., Liu Y., Qi Y., Yu B., Xu F., Li D., Liu Z., DCABM-TCM: A database of constituents absorbed into the blood and metabolites of traditional Chinese medicine. Journal of Chemical Information and Modeling, 2023, 63, 4948–4959. Abstract |
| DDID | Hong Y., Xu H., Liu Y., Zhu S., Tian C., Chen G., Zhu F., Tao L., DDID: a comprehensive resource for visualization and analysis of diet–drug interactions. Briefings in Bioinformatics, 2024, 25, Article No bbae212. Abstract |
| DDInter | Tian Y., Yi J., Wang N., Wu C., Peng J., Liu S., Yang G., Cao D., DDInter 2.0: an enhanced drug interaction resource with expanded data coverage, new interaction types, and improved user interface. Nucleic Acids Research, 2025, 53, D1356–D1362. Abstract |
| DDPD | Li Q., Ma S., Zhang X., Zhai Z., Zhou L., Tao H., Wang Y., Pan J., DDPD 1.0: a manually curated and standardized database of digital properties of approved drugs for drug-likeness evaluation and drug development. Database, 2022, Article No baab083. Abstract |
| DGIdb | Freshour S. L., Kiwala S., Cotto K. C., Coffman A. C., McMichael J. F., Song J. J., Griffith M., Griffith O. L., Wagner A. H., Integration of the Drug–Gene Interaction Database (DGIdb 4.0) with open crowdsource efforts. Nucleic Acids Research, 2021, 49, D1144–D1151. Abstract |
| DGIdb | Cannon M., Stevenson J., Stahl K., Basu R., Coffman A., Kiwala S., McMichael J. F., Kuzma K., Morrissey D., Cotto K., Mardis E. R., Griffith O. L., Griffith M., Wagner A. H., DGIdb 5.0: rebuilding the drug–gene interaction database for precision medicine and drug discovery platforms. Nucleic Acids Research, 2024, 52, D1227–D1235. Abstract |
| DIA-DB | Pérez-Sánchez H., den-Haan H., Peña-García J., Lozano-Sánchez J., Martínez Moreno M. E., Sánchez-Pérez A., Muñoz A., Ruiz-Espinosa P., Pereira A. S. P., Katsikoudi A., Gabaldón Hernández J. A., Stojanovic I., Segura Carretero A., Tzakos A. G., DIA-DB: a database and web server for the prediction of diabetes drugs. Journal of Chemical Information and Modeling., 2020, 60, 4124–4130. Abstract |
| DiPPI | Cankara F., Senyuz S., Sayin A. Z., Gursoy A., Keskin O., DiPPI: A curated data set for drug-like molecules in protein–protein interfaces. Journal of Chemical Information and Modeling, 2024, 64, 5041-5051. Abstract |
| DockCoV2 | Chen T.-F., Chang Y.-C., Hsiao Y., Lee K.-H., Hsiao Y.-C., Lin Y.-H., Tu Y.-C. E., Huang H.-C., Chen C.-Y., Juan H.-F., DockCoV2: a drug database against SARS-CoV-2. Nucleic Acids Research, 2021, 49, D1152–D1159. Abstract |
| DRMref | Liu X., Yi J., Li T., Wen J., Huang K., Liu J., Wang G., Kim P., Song Q., Zhou X., DRMref: comprehensive reference map of drug resistance mechanisms in human cancer. Nucleic Acids Research, 2024, 52, D1253–D1264. Abstract |
| Drug2Gene | Roider H. G., Pavlova N., Kirov I., Slavov S., Slavov T., Uzunov Z., Weiss B., Drug2Gene: an exhaustive resource to explore effectively the drug-target relation network. BMC Bioinformatics, 2014, 15, Article No 68. Abstract |
| DrugBank | Knox C., Wilson M., Klinger C. M., Franklin M., Oler E., Wilson A., Pon A., Cox J., Chin N. E., Strawbridge S. A., Garcia-Patino M., Kruger R., Sivakumaran A., Sanford S., Doshi R., Khetarpal N., Fatokun O., Doucet D., Zubkowski A., Rayat D. Y., Jackson H., Harford K., Anjum A., Zakir M., Wang F., Tian S., Lee B., Liigand J., Peters H., Wang R. Q., Nguyen T., So D., Sharp M., da Silva R., Gabriel C., Scantlebury S., Jasinski M., Ackerman D., Jewison T., Sajed T., Gautam V., Wishart D. S., DrugBank 6.0: the DrugBank Knowledgebase for 2024. Nucleic Acids Research, 2024, 52, D1265–D1275. Abstract |
| DrugCentral | Avram S., Wilson T. B., Curpan R., Halip L., Borota A., Bora A., Bologa C. G., Holmes J., Knocke J., Yang J. J., Oprea T. I., DrugCentral 2023 extends human clinical data and integrates veterinary drugs. Nucleic Acids Res., 2023, 51, D1276–D1287. Abstract |
| DrugCombDB | Liu H., Zhang W., Zou B., Wang J., Deng Y., Deng L., DrugCombDB: a comprehensive database of drug combinations toward the discovery of combinatorial therapy. Nucleic Acids Research, 2020, 48, D871–D881. Abstract |
| Drug Information Portal | Provider: National Institutes of Health |
| DrugMap | Li F., Mou M., Li X., Xu W., Yin J., Zhang Y., Zhu F., DrugMAP 2.0: molecular atlas and pharma-information of all drugs. Nucleic Acids Research, 2025, 53, D1372–D1382. Abstract |
| DrugMap Central | Fu C., Jin G., Gao J., Zhu R., Ballesteros-Villagrana E., Wong S. T. C., DrugMap Central: an on-line query and visualization tool to facilitate drug repositioning studies. Bioinformatics, 2013, 29, 1834-1836. Abstract |
| Drugmonizome | Kropiwnicki E., Evangelista J. E., Stein D. J., Clarke D. J. B., Lachmann A., Kuleshov M. V., Jeon M., Jagodnik K. M., Ma’ayan A., Drugmonizome and Drugmonizome-ML: integration and abstraction of small molecule attributes for drug enrichment analysis and machine learning. Database, 2021, Article No baab017. Abstract |
| Drug-Path | Zeng H., Qiu C., Cui Q., Drug-Path: a database for drug-induced pathways. Database, 2015, Article No bav061. Abstract |
| DrugPort | Provider: European Bioinformatics Institute |
| DrugRepoBank | Huang Y., Dong D., Zhang W., Wang R., Lin Y.-C.-D., Zuo H., Huang H.-Y., Huang H.-D., DrugRepoBank: a comprehensive database and discovery platform for accelerating drug repositioning. Database, 2024, Article No baae051. Abstract |
| DrugRepV | Rajput A., Kumar A., Megha K., Thakur A., Kumar M., DrugRepV: a compendium of repurposed drugs and chemicals targeting epidemic and pandemic viruses. Briefings in Bioinformatics, 2021, 22, 1076–1084. Abstract |
| DrugSimDB | Azad A. K. M., Dinarvand M., Nematollahi A., Swift J., Lutze-Mann L., Vafaee F., A comprehensive integrated drug similarity resource for in-silico drug repositioning and beyond. Briefings in Bioinformatics, 2021, 22, Article No bbaa126. Abstract |
| DrugSpaceX | Yang T., Li Z., Chen Y., Feng D., Wang G., Fu Z., Ding X., Tan X., Zhao J., Luo X., Chen K., Jiang H., Zheng M., DrugSpaceX: a large screenable and synthetically tractable database extending drug space. Nucleic Acids Research, 2021, 49, D1170–D1178. Abstract |
| Drug Target Commons | Tanoli Z. R., Alam Z., Vähä-Koskela M., Ravikumar B., Malyutina A., Jaiswal A., Tang J., Wennerberg K., Aittokallio T., Drug Target Commons 2.0: a community platform for systematic analysis of drug–target interaction profiles. Database, 2018, Article No bay083. Abstract |
| DrumPID | Kunz M., Liang C., Nilla S., Cecil A., Dandekar T.,The drug-minded protein interaction database (DrumPID) for efficient target analysis and drug development. Database, 2016, Article No baw041. Abstract |
| DSigDB | Yoo M., Shin J., Kim J., Ryall K. A., Lee K., Lee S., Jeon M., Kang J., Tan A. C., DSigDB: drug signatures database for gene set analysis. Bioinformatics, 2015, 31, 3069-3071. Abstract |
| ECBD | Škuta C., Müller T., Voršilák M., Popr M., Epp T., Skopelitou K. E., Rossella F., Stechmann B., Gribbon P., Bartunĕk P., ECBD: European chemical biology database. Nucleic Acids Research, 2025, 53, D1383–D1392. Abstract |
| ECOdrug | Verbruggen B., Gunnarsson L., Kristiansson E., Österlund T., Owen S. F., Snape J. R., Tyler C. R., ECOdrug: a database connecting drugs and conservation of their targets across species. Nucleic Acids Research, 2018, 46, D930–D936. Abstract |
| e-Drug3D | Pihan E., Colliandre L., Guichou J. F., Douguet D., e-Drug3D: 3D structure collections dedicated to drug repurposing and fragment-based drug design. Bioinformatics, 2012, 28, 1540-1541. Abstract |
| EGFRIndb | Yadav I. S., Singh H., Khan I., Chaudhury A., Raghava G. P. S., Agarwal S. M., EGFRIndb: Epidermal Growth Factor Receptor Inhibitor Database. Anti-Cancer Agents in Medicinal Chemistry, 2014, 14, 928-935. Abstract |
| EK-DRD | Zhao C., Dai X., Li Y., Guo Q., Zhang J., Zhang X., Wang L., EK-DRD: a comprehensive database for drug repositioning inspired by experimental knowledge. Journal of Chemical Information and Modeling, 2019, 59, 3619-3624. Abstract |
| EpiGraphDB | Liu Y., Elsworth B., Erola P., Haberland V., Hemani G., Lyon M., Zheng J., Lloyd O., Vabistsevits M., Gaunt T. R., EpiGraphDB: a database and data mining platform for health data science. Bioinformatics, 2021, 37, 1304–1311. Abstract |
| ETCM | Xu H.-Y., Zhang Y.-Q., Liu Z.-M., Chen T., Lv C.-Y., Tang S.-H., Zhang X.-B., Zhang W., Li Z.-Y., Zhou R.-R., Yang H.-J., Wang X.-J., Huang L.-Q., ETCM: an encyclopaedia of traditional Chinese medicine. Nucleic Acids Research, 2019, 47, D976–D982. Abstract |
| ETM-DB | Bultum L. E., Woyessa A. M., Lee D., ETM-DB: integrated Ethiopian traditional herbal medicine and phytochemicals database. BMC Complementary Medicine and Therapies, 2019, 19, 212–223. Abstract |
| eTOX Library | Cases M., Pastor M., Sanz F., The eTOX Library of public resources for in silico toxicity prediction. Molecular Informatics, 2013, 32, 24–35. Abstract |
| FAERS | Provider: Food and Drug Administration |
| FDA-Drugs | Provider: Food and Drug Administration |
| FTC | Croset S., Overington J. P., Rebholz-Schuhmann D., The functional therapeutic chemical classification system. Bioinformatics, 2014, 30, 876-883. Abstract |
| GCDB | Wei Y., Li J., Li B., Ma C., Xu X., Wang X., Liu A., Du T., Wang Z., Hong Z., Lin J., GCDB: a glaucomatous chemogenomics database for in silico drug discovery. Database, 2018, Article No bay117. Abstract |
| GSRS | Peryea T., Southall N., Miller M., Katzel D., Anderson N., Neyra J., Stemann S., Nguyễn D.-T., Amugoda D., Newatia A., Ghazzaoui R., Johanson E., Diederik H., Callahan L., Switzer F., Global Substance Registration System: consistent scientific descriptions for substances related to health. Nucleic Acids Research, 2021, 49, D1179–D1185. Abstract |
| HAMdb | Wang N.-N., Dong J., Zhang L., Ouyang D., Cheng Y., Chen A. F., Lu A.-P., Cao D.-S., HAMdb: a database of human autophagy modulators with specific pathway and disease information. Journal of Cheminformatics, 2018, 10, Article No 34. Abstract |
| HARIBOSS | Panei F. P., Torchet R., Ménager H., Gkeka P., Bonomi M., HARIBOSS: a curated database of RNA-small molecules structures to aid rational drug design. Bioinformatics, 2022, 38, 4185–4193. Abstract |
| HEDD | Qi Y., Wang D., Wang D., Jin T., Yang L., Wu H., Li Y., Zhao J., Du F., Song M., Wang R., HEDD: the human epigenetic drug database. Database, 2016, Article No baw159. Abstract |
| HERB | Fang S., Dong L., Liu L., Guo J., Zhao L., Zhang J., Bu D., Liu X., Huo P., Cao W., Dong Q., Wu J., Zeng X., Wu Y., Zhao Y., HERB: a high-throughput experiment- and reference-guided database of traditional Chinese medicine. Nucleic Acids Research, 2021, 49, D1197–D1206. Abstract |
| HERB 2.0 | Gao K., Liu L., Lei S., Li Z., Huo P., Wang Z., Dong L., Deng W., Bu D., Zeng X., Li C., Zhao Y., Zhang W., Wang W., Wu Y., HERB 2.0: an updated database integrating clinical and experimental evidence for traditional Chinese medicine. Nucleic Acids Research, 2025, 53, D1404–D1414. Abstract |
| HerDing | Choi W., Choi C.-H., Kim Y. R., Kim S.-J., Na C.-S., Lee H., HerDing: herb recommendation system to treat diseases using genes and chemicals. Database, 2016, Article No baw011. Abstract |
| Hippo(crates) | Papageorgiou L., Andreou A., Christoforides E., Bethanis K., Vlachakis D., Thireou T., Eliopoulos E., Hippo(crates): An integrated atlas for natural product exploration through a state‑of‑the art pipeline in chemoinformatics. World Academy of Science Journal, 2022, 4, DOI: 10.3892/wasj.2021.136. Abstract |
| HLA-ADR | Ghattaoraya G. S., Dundar Y., González-Galarza F. F., Thomaz Maia M. H., Melo Santos E. J., Soares da Silva A. L., McCabe A., Middleton D., Alfirevic A., Dickson R., Jones A. R., A web resource for mining HLA associations with adverse drug reactions: HLA-ADR. Database, 2016, Article No baw069. Abstract |
| HSPMdb | Singh P., Unik B., Puri A., Nagpal G., Singh B., Gautam A., Sharma D., HSPMdb: a computational repository of heat shock protein modulators. Database, 2020, Article No baaa003. Abstract |
| IDAD | Provider: National University of Singapore |
| IMPPAT | Vivek-Ananth R. P., Mohanraj K., Sahoo A. K., Samal A., IMPPAT 2.0: an enhanced and expanded phytochemical atlas of Indian medicinal plants. ACS Omega, 2023, 8, 8827−8845. Abstract |
| InflamNat | Zhang R., Ren S., Dai Q., Shen T., Li X., Li J., Xiao W., InflamNat: web‑based database and predictor of anti‑inflammatory natural products. Journal of Cheminformatics, 2022, 14, Artykuł nr 30. Abstract |
| IPAD-DB | Peng C., Liu X., Meng X., Chen C., Wu X., Bai L., Lu F., Liu F., IPAD-DB: a manually curated database for experimentally verified inhibitors of proteins associated with Alzheimer’s disease. Database, 2024, Article No baae048. Abstract |
| INTEDE | Zhang Y., Liu X., Li F., Yin J., Yang H., Li X., Liu X., Chai X., Niu T., Zeng S., Jia Q., Zhu F., INTEDE 2.0: the metabolic roadmap of drugs. Nucleic Acids Research, 2024, 52, D1355–D1364. Abstract |
| ISTransbase | Peng J., Yi J., Yang G., Huang Z., Cao D., ISTransbase: an online database for inhibitor and substrate of drug transporters. Database, 2024, Article No baae053. Abstract |
| IUPHAR-DB | Harding S. D., Armstrong J. F., Faccenda E., Southan C., Alexander S. P. H., Davenport A. P., Spedding M., Davies J., The IUPHAR/BPS Guide to PHARMACOLOGY in 2024. Nucleic Acids Research, 2024, 52, D1438–D1449. Abstract |
| KEGG BRITE | Kanehisa M., Furumichi M., Sato Y., Matsuura Y., Ishiguro-Watanabe M., KEGG: biological systems database as a model of the real world. Nucleic Acids Research, 2025, 53, D672–D677. Abstract |
| KEGG drug | Kanehisa M., Furumichi M., Sato Y., Matsuura Y., Ishiguro-Watanabe M., KEGG: biological systems database as a model of the real world. Nucleic Acids Research, 2025, 53, D672–D677. Abstract |
| LabWorm Drugs | Authors: Yoav Bauman, Roy Granit, Alon Vitenshtein |
| LINCS | Provider: National Institutes of Health |
| MACC | Gao J., Mo S., Wang J., Zhang M., Shi Y., Zhu C., Shang Y., Tang X., Zhang S., Wu X., Xu X., Wang Y., Li Z., Zheng G., Chen Z., Wang Q., Tang K., Cao Z., MACC: a visual interactive knowledgebase of metabolite-associated cell communications. Nucleic Acids Research, 2024, 52, D633–D639. Abstract |
| MedPServer | Potshangbam A. M., Polavarapu R., Rathore R. S., Naresh D., Prabhu N. P., Potshangbam N., Kumar P., Vindal V., MedPServer: A database for identification of therapeutic targets and novel leads pertaining to natural products. Chemical Biology & Drug Design, 2019, 93, 438–446. Abstract |
| MeSH | Sayers E. W., Beck J., Brister J. R., Bolton E. E., Canese K., Comeau D. C., Funk K., Ketter A., Kim S., Kimchi A., Kitts P. A., Kuznetsov A., Lathrop S., Lu Z., McGarvey K., Madden T. L., Murphy T. D., O’Leary N., Phan L., Schneider V. A., Thibaud-Nissen F., Trawick B. A., Pruitt K. D., Ostell J., Database resources of the National Center for Biotechnology Information. Nucleic Acids Res., 2020, 48, D9-D16. Abstract |
| MetaADEDB | Cheng F., Li W., Wang Y., Zhou Y., Wu Z., Shen J., Tang Y., Adverse Drug Events: database construction and in silico prediction. Journal of Chemical Information and Modeling, 2013, 53, 744-752. Abstract |
| MolBiC | Ge Y., Yang M., Yu X., Zhou Y., Zhang Y., Mou M., Chen Z., Sun X., Ni F., Fu T., Liu S., Han L., Zhu F., MolBiC: the cell-based landscape illustrating molecular bioactivities. Nucleic Acids Research, 2025, 53, D1683–D1691. Abstract |
| MPDB | Hussain N., Chanda R., Abir R. A., Mou M. A., Hasan K., Ashraf M. A., MPDB 2.0: a large scale and integrated medicinal plant database of Bangladesh. BMC Research Notes, 2021, 14, Article No 301. Abstract |
| NCATS Inxight Drugs | Siramshetty V. B., Grishagin I., Nguyễn Ð-T., Peryea T., Skovpen Y., Stroganov O., Katzel D., Sheils T., Jadhav A., Mathé E. A., Southall N. T., NCATS Inxight Drugs: a comprehensive and curated portal for translational research. Nucleic Acids Research, 2022, 50, D1307–D1316. Abstract |
| NCI DIS 3D Database | Milne G. W. A., Nicklaus M. C., Driscoll J. S., Wang S., Zaharevitz D., The NCI Drug Information System 3D Database. Journal of Chemical Information and Computer Sciences, 1994, 34, 1219-1224. Abstract |
| ncRNADrug | Cao X., Zhou X., Hou F., Huang Y., Yuan M., Long M., Chen S., Lei W., Zhu J., Chen J., Zhang T., Guo A.-Y., Jiang W., ncRNADrug: a database for validated and predicted ncRNAs associated with drug resistance and targeted by drugs. Nucleic Acids Research, 2024, 52, D1393–D1399. Abstract |
| NetwoRx | Provider: Jurisica Lab, Ontario Cancer Institute, Princess Margaret Hospital/UHN |
| NIAID | Provider: National Institute for Allergy and Infectious Diseases |
| NPACT | Mangal M., Sagar P., Singh H., Raghava G. P. S., Agarwal S. M., NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database. Nucleic Acids Research, 2013, 41, D1124-D1129. Abstract |
| NPASS | Zhao H., Yang Y., Wang S., Yang X., Zhou K., Xu C., Zhang X., Fan J., Hou D., Li X., Lin H., Tan Y., Wang S., Chu X.-Y., Zhuoma D., Zhang F., Ju D., Zeng X., Chen Y. Z., NPASS database update 2023: quantitative natural product activity and species source database for biomedical research. Nucleic Acids Research, 2023, 51, D621–D628. Abstract |
| NPCARE | Choi H., Cho S. Y., Pak H. J., Kim Y., Choi J.-Y., Lee Y. J., Gong B. H., Kang Y. S., Han T., Choi G., Cho Y., Lee S., Ryoo D., Park H., NPCARE: database of natural products and fractional extracts for cancer regulation. Journal of Cheminformatics, 2017, 9, Article No 2. Abstract |
| NPCDR | Sun X., Zhang Y., Zhou Y., Lian X., Yan L., Pan T., Jin T., Xie H., Liang Z., Qiu W., Wang J., Li Z., Feng hu F., Sui X., NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research, 2022, 50, D1324–D1333. Abstract |
| NRLiSt BDB | Lagarde N., Ben Nasr N., Jérémie A., Guillemain H., Laville V., Labib T., Zagury J.-F., Montes M., NRLiSt BDB, the manually curated nuclear receptors ligands and structures benchmarking database. Journal of Medicinal. Chemistry, 2014, 57, 3117–3125. Abstract |
| Open Targets | Buniello A., Suveges D., Cruz-Castillo C., Bernal Llinares M., Cornu H., Lopez I., Tsukanov K., Roldán-Romero J. M., Mehta C., Fumis L., McNeill G., Hayhurst J. D., Martinez Osorio R. E., Barkhordari E., Ferrer J., Carmona M., Uniyal P., Falaguera M. J., Rusina P., Smit I., Schwartzentruber J., Alegbe T., Ho V. W., Considine D., Ge X., Szyszkowski S., Tsepilov Y., Ghoussaini M., Dunham I., Hulcoop D. G., McDonagh E. M., Ochoa D., Open Targets Platform: facilitating therapeutic hypotheses building in drug discovery. Nucleic Acids Research, 2025, 53, D1467–D1475. Abstract |
| PDCdb | Sun X., Li H., Chen Z., Zhang Y., Wei Z., Xu H., Liao Y., Jiang W., Ge Y., Zheng L., Li L., Wu Y., Luo M., Fang L., Dong X., Xiao M., Han L., Jia Q., Zhu F., PDCdb: the biological activity and pharmaceutical information of peptide–drug conjugate (PDC). Nucleic Acids Research, 2025, 53, D1476–D1485. Abstract |
| PDSP | Providers: National Institute of Mental Health, Bethesda, MD, USA and University of North Carolina, Chapel Hill, NC, USA |
| PepTherDia | D’Aloisio V., Dognini P., Hutcheon G. A., Coxon C. R., PepTherDia: database and structural composition analysis of approved peptide therapeutics and diagnostics. Drug Discovery Today, 2021, 26, 1409-1419. Abstract |
| PeruNPD | Barazorda‑Ccahuana H. L., Gálvez Ranilla L., Candia‑Puma M. A., Cárcamo‑Rodriguez E. G., Centeno‑Lopez A. E., Davila‑Del‑Carpio G., Medina‑Franco J. L., Chávez‑Fumagalli M. A., PeruNPDB: the Peruvian Natural Products Database for in silico drug screening. Scientific Reports, 2023, 13, Article No 7577. Abstract |
| PGxDB | Nguyen T. T. D., Tanoli Z., Hassan S., Özcan U. O., Caroli J., Kooistra A. J., Gloriam D. E., Hauser A. S., PGxDB: an interactive web-platform for pharmacogenomics research. Nucleic Acids Research, 2025, 53, D1486–D1497. Abstract |
| PharmacoDB | Feizi N., Nair S. K., Smirnov P., Beri G., Eeles C., Esfahani P. N., Nakano M., Tkachuk D., Mammoliti A., Gorobets E., Mer A. S., Lin E., Yu Y., Martin S., Hafner M., Haibe-Kains B., PharmacoDB 2.0: improving scalability and transparency of in vitro pharmacogenomics analysis. Nucleic Acids Research, 2022, 50, D1348–D1357. Abstract |
| PharmGKB | Thorn C. F., Klein T. E., Altman R. B., PharmGKB: The pharmacogenomics knowledge base. Methods in Molecular Biology, 2013, 1015, 311-320. Abstract |
| PharmGWAS | Kang H., Pan S., Lin S., Wang Y.-Y., Yuan N., Jia P., PharmGWAS: a GWAS-based knowledgebase for drug repurposing. Nucleic Acids Research, 2024, 52, D972–D979. Abstract |
| PHAROS | Nguyen D.-T., Mathias S., Bologa C., Brunak S., Fernandez N., Gaulton A., Hersey A., Holmes J., Jensen L. J., Karlsson A., Liu G., Ma’ayan A., Mandava G., Mani S., Mehta S., Overington J., Patel J., Rouillard A. D., Schürer S., Sheils T., Simeonov A., Sklar L. A., Southall N., Ursu O., Vidovic D., Waller A., Yang J., Jadhav A., Oprea T. I., Guha R., Pharos: Collating protein information to shed light on the druggable genome. Nucleic Acids Research, 2017, 45, D995-D1002. Abstract |
| PHCD | Provider: Chemistry & Chemical Engineering Research Center of Iran |
| PhID | Deng Z., Tu W., Deng Z., Hu Q.-N., PhID: an open-access integrated pharmacology interactions database for drugs, targets, diseases, genes, side-effects, and pathways. Journal of Chemical Information and Modeling, 2017, 57, 2395–2400. Abstract |
| phytochemdb | Mahmud S., Paul G. K., Biswas S., Kazi T., Mahbub S.,Mita M. A., Afrose S., Islam A., Ahaduzzaman S., Hasan R., Shimu S. S., Promi M. M., Shehab M. N., Rahman E., Sujon K. M., Alom W., Modak A., Zaman S., Uddin S., Emran T. B., Islam S., Saleh A., phytochemdb: a platform for virtual screening and computer-aided drug designing. Database, 2022, Article No baac002. Abstract |
| Phytochemica | Pathania S., Ramakrishnan S. M., Bagler G., Phytochemica: a platform to explore phytochemicals of medicinal plants. Database, 2015, Article No bav075. Abstract |
| PK/DB | Moda T. L., Torres L. G., Carrara A. E., Andricopulo A. D., PK/DB: database for pharmacokinetic properties and predictive in silico ADME models. Bioinformatics, 2008, 24, 2270-2271. Abstract |
| PK-DB | Grzegorzewski J., Brandhorst J., Green K., Eleftheriadou D., Duport Y., Barthorscht F., Köller A., Ke D. Y. J., De Angelis S., König M., PK-DB: pharmacokinetics database for individualized and stratified computational modeling. Nucleic Acids Research, 2021, 49, D1358–D1364. Abstract |
| PoSSuMds | Ito J., Ikeda K., Yamada K., Mizuguchi K., Tomii K., PoSSuM v.2.0: data update and a new function for investigating ligand analogs and target proteins of small-molecule drugs. Nucleic Acids Research, 2015, 43, D392-D398. Abstract |
| PROMISCUOUS | Gallo K., Goede A., Eckert A., Moahamed B., Preissner R., Gohlke B.-O., PROMISCUOUS 2.0: a resource for drug-repositioning. Nucleic Acids Research, 2021, 49, D1373–D1380. Abstract |
| Re:fine drugs | Moosavinasab S., Patterson J., Strouse R., Rastegar-Mojarad M., Regan K., Payne P. R. O., Huang Y., Lin S. M., ‘RE:fine drugs’: an interactive dashboard to access drug repurposing opportunities. Database, 2016, Article No baw083. Abstract |
| RepurposeDB | Shameer K., Glicksberg B. S., Hodos R., Johnson K. W., Badgeley M. A., Readhead B., Tomlinson M. S., O’Connor T., Miotto R., Kidd B. A., Chen R., Ma’ayan A., Dudley J. T., Systematic analyses of drugs and disease indications in RepurposeDB reveal pharmacological, biological and epidemiological factors influencing drug repositioning. Briefings in Bioinformatics, 2018, 19, 656–678. Abstract |
| SerpentinaDB | Pathania S, Ramakrishnan SM, Randhawa V, Bagler G., SerpentinaDB: a database of plant-derived molecules of Rauvolfia serpentina. BMC Complementary and Alternative Medicine, 2015, 15, Article No 262. Abstract |
| Shennong Project – SARS-COV-2 | Xu C., Ke Z., Liu C., Wang Z., Liu D., Zhang L., Wang J., He W., Xu Z., Li Y., Yang Y., Huang Z., Lv P., Wang X., Han D., Li Y., Qiao N., Liu B., Systemic in silico screening in drug discovery for coronavirus disease (COVID-19) with an online interactive web server. Journal of Chemical Information and Modeling, 2020, 60, 5735–5745. Abstract |
| SIDER | Kuhn M., Letunic I., Jensen L. J., Bork P., The SIDER database of drugs and side effects. Nucleic Acids Research, 2016, 44, D1075–D1079. Abstract |
| SMACC | Martin H.-J., Melo-Filho C. C., Korn D., Eastman R. T., Rai G., Simeonov A., Zakharov A. V., Muratov E., Tropsha A., Small molecule antiviral compound collection (SMACC): A comprehensive, highly curated database to support the discovery of broad-spectrum antiviral drug molecules. Antiviral Research, 2023, 217, Article No 105620. Abstract |
| SMMDB | Mishra S. K., Jain N., Shankar U., Tawani A., Mishra A., Kumar A., SMMDB: a web-accessible database for small molecule modulators and their targets involved in neurological diseases. Database, 2018, Article No bay082. Abstract |
| StreptomeDB | Feng Y., Qaseem A., Moumbock A. F. A., Pan S., Kirchner P., Simoben C. V., Malange Y. I., Babiaka S. B., Gao M., Günther S., StreptomeDB 4.0: a comprehensive database of streptomycetes natural products enriched with protein interactions and interactive spectral visualization. Nucleic Acids Research, 2025, 53, D724–D729. Abstract |
| SuperDrug | Siramshetty V. B., Eckert O. A., Gohlke B.-O., Goede A., Chen Q., Devarakonda P., Preissner S., Preissner R., SuperDRUG2: a one stop resource for approved/marketed drugs. Nucleic Acids Research, 2018, 46, D1137–D1143. Abstract |
| SuperPain | Gohlke B. O., Preissner R., Preissner S., SuperPain-a resource on pain-relieving compounds targeting ion channels. Nucleic Acids Research, 2014, 42, D1107–D1112. Abstract |
| SuperTarget | Hecker N., Ahmed J., von Eichborn J., Dunkel M., Macha K., Eckert A., Gilson M. K., Bourne P. E., Preissner R., SuperTarget goes quantitative: update on drug–target interactions. Nucleic Acids Research, 2012, 40, D1113-D1117. Abstract |
| SuperTCM | Chen Q., Springer L., Gohlke B. O., Goede A., Dunkel M., Abel R., Gallo K., Preissner S., Eckert A., Seshadri L., Preissner R., SuperTCM: A biocultural database combining biological pathways and historical linguistic data of Chinese Materia Medica for drug development. Biomedicine & Pharmacotherapy, 2021, 144, Article No 112315. Abstract |
| SymMap | Wu Y., Zhang F., Yang K., Fang S., Bu D., Li H., Sun L., Hu H., Gao K., Wang W., Zhou X., Zhao Y., Chen J., SymMap: an integrative database of traditional Chinese medicine enhanced by symptom mapping. Nucleic Acids Research, 2019, 47, D1110–D1117. Abstract |
| SYNERGxDB | Seo H., Tkachuk D., Ho C., Mammoliti A., Rezaie A., Tonekaboni S. A. M., Haibe-Kains B., SYNERGxDB: an integrative pharmacogenomic portal to identify synergistic drug combinations for precision oncology. Nucleic Acids Research, 2020, 48, W494–W501. Abstract |
| SynPharm | Ireland S. M., Southan C., Dominguez-Monedero A., Harding S. D., Sharman J. L., Davies J. A., SynPharm: A Guide to PHARMACOLOGY database tool for designing drug control into engineered proteins. ACS Omega, 2018, 3, 7993-8002. Abstract |
| T-ARDIS | Galletti C., Bota P. M., Oliva B., Fernandez-Fuentes N., Mining drug–target and drug–adverse drug reaction databases to identify target–adverse drug reaction relationships. Database, 2021, Article No baab068. Abstract |
| TarNet | Hu R., Ren G., Sun G., Sun X., TarNet: an evidence-based database for natural medicine research. PLoS ONE, 2016, 11, Article No e0157222. Abstract |
| TBDRUGS | Sundaramurthi J. C., Hanna L. E., Selvaraju S., Brindha B., Gnanadoss J. J., Vincent S., Singh H., Swaminathan S., TBDRUGS – Database of drugs for tuberculosis. Tuberculosis, 2016, 100, 69-71. Abstract |
| TCM | Chen C.Y-C., TCM Database@Taiwan: the world’s largest traditional Chinese medicine database for drug screening in silico. PLoS ONE, 2011, 6, Article No e15939. Abstract |
| TCMAnalyzer | Liu Z., Du J., Yan X., Zhong J., Cui L., Lin J., Zeng L., Ding P., Chen P., Zhou X., Zhou H., Gu Q., Xu J., TCMAnalyzer: a chemo- and bioinformatics web service for analyzing traditional Chinese medicine. Journal of Chemical Information and Modeling, 2018, 58, 550–555. Abstract |
| TCMID | Huang L., Xie D., Yu Y., Liu H., Shi Y., Shi T., Wen C., TCMID 2.0: a comprehensive resource for TCM. Nucleic Acids Research, 2018, 46, D1117–D1120. Abstract |
| TCM-Mesh | Zhang R.-z., Yu S.-j., Bai H., Ning K., TCM-Mesh: The database and analytical system for network pharmacology analysis for TCM preparations. Scientific Reports, 2017, 7, Article No 2821. Abstract |
| TCMSID | Zhang L.-X., Dong J., Wei H., Shi S.-H., Lu A.-P., Deng G.-M., Cao D.-S., TCMSID: a simplified integrated database for drug discovery from traditional chinese medicine. Journal of Cheminformatics, 2022, 14, Article No 89. Abstract |
| TCMSP | Ru J., Li P., Wang J., Zhou W., Li B., Huang C., Li P., Guo Z., Tao W., Yang Y., Xu X., Li Y., Wang Y., Yang L., TCMSP: a database of systems pharmacology for drug discovery from herbal medicines. Journal of Cheminformatics, 2014, 6, Article No 13. Abstract |
| TDR Targets | Landaburu L. U., Berenstein A. J., Videla S., Maru P., Shanmugam D., Chernomoretz A., Agüero F., TDR Targets 6: driving drug discovery for human pathogens through intensive chemogenomic data integration. Nucleic Acids Research, 2020, 48, D992–D1005. Abstract |
| TiPs | Lepore R., Tramontano A., Via A., TiPs: a database of therapeutic targets in pathogens and associated tools. Bioinformatics, 2013, 29, 1821-1822. Abstract |
| TM-MC | Kim S.-K., Nam S., Jang H., Kim A., Lee J.-J., TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine. BMC Complementary and Alternative Medicine, 2015, 15, Article No 218. Abstract |
| ToxDB | Hardt C., Beber M. E., Rasche A., Kamburov A., Hebels D. G., Kleinjans J. C., Herwig R., ToxDB: pathway-level interpretation of drug-treatment data. Database, 2016, Article No baw052. Abstract |
| Transformer | Hoffmann M. F., Preissner S. C., Nickel J., Dunkel M., Preissner R., Preissner S., The Transformer database: biotransformation of xenobiotics. Nucleic Acids Research, 2014, 42, D1113–D1117. Abstract |
| TTD | Zhou Y., Zhang Y., Zhao D., Yu X., Shen X., Zhou Y., Wang S., Qiu Y., Chen Y., Zhu F., TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Research, 2024, 52, D1465–D1477. Abstract |
| VAMMPIRE | Weber J., Achenbach J., Moser D., Proschak E., VAMMPIRE: a matched molecular pairs database for structure-based drug design and optimization. Journal of Medicinal Chemistry, 2013, 56, 5203–5207. Abstract |
| VARIDT | Yin J., Sun W., Li F., Hong J., Li X., Zhou Y., Lu Y., Liu M., Zhang X., Chen N., Jin X., Xue J., Zeng S., Yu L., Zhu F., VARIDT 1.0: variability of drug transporter database. Nucleic Acids Research, 2020, 48, D1042–D1050. Abstract |
| VGSC-DB | Wang G., Yu J., Du H., Shen C., Zhang X., Liu Y., Zhang Y., Cao D., Pan P., Hou T., VGSC‑DB: an online database of voltage‑gated sodium channels. Journal of Cheminformatics, 2022, 14, Article No 75. Abstract |
| VIETHERB | Nguyen-Vo T.-H., Le T., Pham D., Nguyen T., Le P., Nguyen A., Nguyen T., Nguyen T.-N., Nguyen V., Do H., Trinh K., Duong H. T., Le L., VIETHERB: a database for Vietnamese herbal species. Journal of Chemical Information and Modeling, 2019, 59, 1–9. Abstract |
| VNP | Hu Q.-N., Deng Z., Tu W., Yang X., Meng Z.-B., Deng Z.-X., Liu J., VNP: interactive Visual Network Pharmacology of diseases, targets, and drugs. CPT Pharmacometrics & Systems Pharmacology, 2014, 3, Article No e105. Abstract |
| Wikipedia ATC | |
| WITHDRAWN | Gallo K., Goede A., Eckert O.-A., Gohlke B.-O., Preissner R., Withdrawn 2.0—update on withdrawn drugs with pharmacovigilance data. Nucleic Acids Research, 2024, 52, D1503–D1507. Abstract |
| ZINClick | Massarotti A., Brunco A., Sorba G., Tron G. C., ZINClick: a database of 16 million novel, patentable, and readily synthesizable 1,4-disubstituted triazoles. Journal of Chemical Information and Modeling, 2014, 54, 396–406. Abstract |
Last Updated on 24-06-2025 by Piotr Minkiewicz