281:(absorption, distribution, metabolism, excretion and toxicity) parameters. Version 3.0 was released in 2011. This version contained 1424 approved small molecule drugs and 132 biotech drugs as well as >4000 unique drug targets. Version 3.0 also included drug transporter data, drug pathway data, drug pricing, patent and manufacturing data as well as data on >5000 experimental drugs. Version 4.0 was released in 2014. This version included 1558 FDA-approved small molecule drugs, 155 biotech drugs and 4200 unique drug targets. Version 4.0 also incorporated extensive information on drug metabolites (structures and reactions), drug taxonomy, drug spectra, drug
38:
1417:
Wishart, DS; Guo, AC; Eisner, R; Young, N; Gautam, B; Hau, DD; Psychogios, N; Dong, E; Bouatra, S; Mandal, R; Sinelnikov, I; Xia, J; Jia, L; Cruz, JA; Lim, E; Sobsey, CA; Shrivastava, S; Huang, P; Liu, P; Fang, L; Peng, J; Fradette, R; Cheng, D; Tzur, D; Clements, M; Lewis, A; De Souza, A; Zuniga, A;
197:
The DrugBank Online website is available to the public as a free-to-access resource. However, use and re-distribution of content from DrugBank Online or the underlying DrugBank Data, in whole or part, and for any purpose requires a license. Academic users can apply for a free license for certain use
268:
The first version of DrugBank was released in 2006. This early release contained relatively modest information about 841 FDA-approved small molecule drugs and 113 biotech drugs. It also included information on 2133 drug targets. The second version of DrugBank was released in 2009. This greatly
63:
Chemical structures, small molecule drugs, biotech drugs, drug targets, drug transporters, drug target sequences, drug target SNPs, drug metabolites, drug descriptions, disease associations, dosage data, food and drug interactions, adverse drug reactions, pharmacology, mechanisms of action, drug
229:/transporter/carrier) sequences are linked to these drug entries. Each DrugCard entry (Fig. 1) contains more than 200 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data.
1154:
All data in DrugBank is derived from public non-proprietary sources. Nearly every data item is fully traceable and explicitly referenced to the original source. DrugBank data is available through a public web interface.
185:
resource, DrugBank combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. DrugBank has used content from
1368:
Law, V; Knox, C; Djoumbou, Y; Jewison, T; Guo, AC; Liu, Y; Maciejewski, A; Arndt, D; Wilson, M; Neveu, V; Tang, A; Gabriel, G; Ly, C; Adamjee, S; Dame, ZT; Han, B; Zhou, Y; Wishart, DS (Jan 2014).
269:
expanded and improved version of the database included 1344 approved small molecule drugs and 123 biotech drugs as well as 3037 unique drug targets. Version 2.0 also included, for the first time,
64:
metabolism, chemical synthesis, patent and pricing data, chemical properties, nomenclature, synonyms, chemical taxonomy, drug NMR spectra, drug GC-MS spectra, drug LC-MS spectra
1565:
Knox, C; Law, V; Jewison, T; Liu, P; Ly, S; Frolkis, A; Pon, A; Banco, K; Mak, C; Neveu, V; Djoumbou, Y; Eisner, R; Guo, AC; Wishart, DS. (Jan 2011).
285:
and drug synthesis information. Table 1 provides a more complete statistical summary of the history of DrugBank's development.
244:
databases. HMDB contains equivalent information on more than 40,000 human metabolites, T3DB contains information on 3100 common
1678:
1673:
1338:
1683:
1204:
1184:
1668:
1418:
Dawe, M; Xiong, Y; Clive, D; Greiner, R; Nazyrova, A; Shaykhutdinov, R; Li, L; Vogel, HJ; Forsythe, I (Jan 2009).
1174:
174:
256:
and disease pathways, while FooDB contains equivalent information on ~28,000 food components and
253:
191:
1615:
1339:"The Dizzying Problem of Citationless Knowledge (XXG) "Facts" That Take On a Life of Their Own"
1645:
1596:
1547:
1498:
1449:
1399:
1316:
1264:
222:
1635:
1627:
1586:
1578:
1537:
1529:
1488:
1480:
1439:
1431:
1389:
1381:
1306:
1298:
1254:
1246:
1230:
282:
87:
1467:
Lim, E; Pon A; Djoumbou Y; Knox C; Shrivastava S; Guo AC; Neveu V; Wishart DS. (Jan 2010).
201:
The latest release of the database (version 5.0) contains 9591 drug entries including 2037
1169:
182:
169:
database is a comprehensive, freely accessible, online database containing information on
74:
1640:
1591:
1566:
1542:
1517:
1493:
1468:
1444:
1419:
1394:
1369:
1311:
1286:
1259:
1234:
270:
257:
241:
218:
206:
1662:
289:
Table 1. Comparison between the coverage in DrugBank 1.0, 2.0, 3.0 and DrugBank 4.0.
274:
1189:
187:
1616:"DrugBank: a comprehensive resource for in silico drug discovery and exploration"
1235:"DrugBank: a comprehensive resource for in silico drug discovery and exploration"
237:
97:
DrugBank: a comprehensive resource for in silico drug discovery and exploration.
1469:"T3DB: a comprehensively annotated database of common toxins and their targets"
249:
79:
University of
Alberta and The Metabolomics Innovation Centre, Alberta, Canada
1649:
1600:
1551:
1502:
1453:
1403:
1320:
1268:
37:
1582:
1533:
1385:
1631:
1484:
1435:
1302:
1250:
17:
214:
210:
178:
1567:"DrugBank 3.0: a comprehensive resource for 'omics' research on drugs"
1164:
245:
226:
1287:"DrugBank: a knowledgebase for drugs, drug actions and drug targets"
127:
1194:
233:
190:; Knowledge (XXG) also often links to Drugbank, posing potential
1199:
1179:
278:
170:
27:
Online database containing information on drugs and drug targets
202:
225:. Additionally, 4270 non-redundant protein (i.e. drug target/
277:, extensive food-drug and drug-drug interactions as well as
111:
252:, SMPDB contains pathway diagrams for nearly 700 human
1516:
Jewison, T; Su Y; Disfany FM; et al. (Jan 2014).
987:
Total No. of experimental and FDA small molecule drugs
528:
No. of drugs with taxonomic classification information
1370:"DrugBank 5.0: shedding new light on drug metabolism"
1285:
Wishart, DS; Knox C; Guo AC; et al. (Jan 2008).
198:
cases while all other users require a paid license.
1014:
Total No. of experimental and FDA drugs (all types)
717:
No. of drugs with drug-target binding constant data
155:
145:
140:
122:
106:
101:
93:
83:
73:
68:
57:
49:
44:
582:No. of drugs with patent/pricing/manufacturer data
177:and The Metabolomics Innovation Centre located in
151:Every 2 years with monthly corrections and updates
232:Four additional databases, HMDB, T3DB, SMPDB and
1420:"HMDB: a knowledgebase for the human metabolome"
798:No. of drugs with chemical synthesis information
173:and drug targets created and maintained by the
1363:
1361:
1359:
1280:
1278:
1225:
1223:
1221:
1219:
1068:No. of approved-drug enzymes/carriers (unique)
1332:
1330:
8:
30:
474:No. of illustrated drug metabolism pathways
393:No. of drugs with metabolizing enzyme data
1233:; Knox C; Guo AC; et al. (Jan 2006).
36:
29:
1639:
1590:
1541:
1492:
1443:
1393:
1310:
1258:
1095:No. of all drug enzymes/carriers (unique)
181:, Canada. As both a bioinformatics and a
825:No. of FDA-approved small molecule drugs
366:No. of illustrated drug-action pathways
287:
1215:
501:No. of drugs with drug transporter data
420:No. of drug metabolites with structures
663:No. of ADMET parameters (Caco-2, LogS)
7:
236:are also part of a general suite of
1337:Harrison, Stephen (7 March 2019).
555:No. of SNP-associated drug effects
25:
1518:"Small Molecule Pathway Database"
209:drugs, 241 FDA-approved biotech (
1041:No. of all drug targets (unique)
447:No. of drug-metabolism reactions
690:No. of QSAR parameters per drug
312:No. of data fields per DrugCard
1122:No. of external database links
1:
744:No. of drugs with NMR spectra
636:No. of drug–drug interactions
609:No. of food–drug interactions
1577:(Database issue): D1035-41.
1205:Therapeutic Targets Database
1185:List of biological databases
771:No. of drugs with MS spectra
1528:(Database issue): D478-84.
1430:(Database issue): D603-10.
1380:(Database issue): D1091-7.
1245:(Database issue): D668-72.
1140:
1135:
1130:
1125:
1113:
1108:
1103:
1098:
1086:
1081:
1076:
1071:
1059:
1054:
1049:
1044:
1032:
1027:
1022:
1017:
1005:
1000:
995:
990:
978:
973:
968:
963:
951:
946:
941:
936:
924:
919:
914:
909:
897:
892:
887:
882:
870:
865:
860:
855:
843:
838:
833:
828:
816:
811:
806:
801:
789:
784:
779:
774:
762:
757:
752:
747:
735:
730:
725:
720:
708:
703:
698:
693:
681:
676:
671:
666:
654:
649:
644:
639:
627:
622:
617:
612:
600:
595:
590:
585:
573:
568:
563:
558:
546:
541:
536:
531:
519:
514:
509:
504:
492:
487:
482:
477:
465:
460:
455:
450:
438:
433:
428:
423:
411:
406:
401:
396:
384:
379:
374:
369:
357:
352:
347:
342:
330:
325:
320:
315:
1700:
1614:Wishart, David S. (2006).
1479:(Database issue): D781-6.
1297:(Database issue): D901-6.
879:No. of nutraceutical drugs
960:No. of experimental drugs
35:
1679:Human drug metabolites
1620:Nucleic Acids Research
1571:Nucleic Acids Research
1522:Nucleic Acids Research
1473:Nucleic Acids Research
1424:Nucleic Acids Research
1374:Nucleic Acids Research
1291:Nucleic Acids Research
1239:Nucleic Acids Research
906:No. of withdrawn drugs
1674:Metabolomic databases
175:University of Alberta
1684:Biological databases
1626:(suppl_1): 668–672.
933:No. of illicit drugs
852:No. of biotech drugs
1583:10.1093/nar/gkq1126
1534:10.1093/nar/gkt1067
1386:10.1093/nar/gkt1068
339:No. of search types
290:
32:
1669:Chemical databases
1632:10.1093/nar/gkj067
1485:10.1093/nar/gkp934
1436:10.1093/nar/gkn810
1303:10.1093/nar/gkm958
1251:10.1093/nar/gkj067
288:
254:metabolic pathways
248:and environmental
223:experimental drugs
192:circular reporting
1147:
1146:
283:binding constants
163:
162:
16:(Redirected from
1691:
1654:
1653:
1643:
1611:
1605:
1604:
1594:
1562:
1556:
1555:
1545:
1513:
1507:
1506:
1496:
1464:
1458:
1457:
1447:
1414:
1408:
1407:
1397:
1365:
1354:
1353:
1351:
1349:
1334:
1325:
1324:
1314:
1282:
1273:
1272:
1262:
1227:
1150:Scope and access
1143:
1138:
1133:
1128:
1116:
1111:
1106:
1101:
1089:
1084:
1079:
1074:
1062:
1057:
1052:
1047:
1035:
1030:
1025:
1020:
1008:
1003:
998:
993:
981:
976:
971:
966:
954:
949:
944:
939:
927:
922:
917:
912:
900:
895:
890:
885:
873:
868:
863:
858:
846:
841:
836:
831:
819:
814:
809:
804:
792:
787:
782:
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765:
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738:
733:
728:
723:
711:
706:
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684:
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674:
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652:
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522:
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463:
458:
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399:
387:
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377:
372:
360:
355:
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345:
333:
328:
323:
318:
291:
159:Manually curated
136:
133:
131:
129:
118:
115:
113:
94:Primary citation
88:David S. Wishart
40:
33:
21:
1699:
1698:
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1659:
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1613:
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1416:
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1411:
1367:
1366:
1357:
1347:
1345:
1336:
1335:
1328:
1284:
1283:
1276:
1229:
1228:
1217:
1213:
1170:Drug metabolism
1161:
1152:
1141:
1136:
1131:
1126:
1114:
1109:
1104:
1099:
1087:
1082:
1077:
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1028:
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979:
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331:
326:
321:
316:
271:withdrawn drugs
266:
264:Version history
188:Knowledge (XXG)
183:cheminformatics
156:Curation policy
147:
126:
110:
75:Research center
59:
28:
23:
22:
15:
12:
11:
5:
1697:
1695:
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1557:
1508:
1459:
1409:
1355:
1343:Slate Magazine
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1202:
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329:
324:
319:
314:
308:
307:
304:
301:
298:
295:
265:
262:
258:food additives
242:cheminformatic
221:and over 6000
219:nutraceuticals
207:small molecule
161:
160:
157:
153:
152:
149:
143:
142:
138:
137:
124:
120:
119:
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55:
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26:
24:
14:
13:
10:
9:
6:
4:
3:
2:
1696:
1685:
1682:
1680:
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1300:
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1210:
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1201:
1198:
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1191:
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1168:
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1163:
1162:
1158:
1156:
1149:
1123:
1120:
1119:
1096:
1093:
1092:
1069:
1066:
1065:
1042:
1039:
1038:
1015:
1012:
1011:
988:
985:
984:
961:
958:
957:
934:
931:
930:
907:
904:
903:
880:
877:
876:
853:
850:
849:
826:
823:
822:
799:
796:
795:
772:
769:
768:
745:
742:
741:
718:
715:
714:
691:
688:
687:
664:
661:
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637:
634:
633:
610:
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606:
583:
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579:
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525:
502:
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448:
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313:
310:
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299:
296:
293:
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286:
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280:
276:
275:illicit drugs
272:
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141:Miscellaneous
139:
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109:
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100:
96:
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78:
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67:
62:
56:
53:Drug database
52:
48:
43:
39:
34:
19:
1623:
1619:
1609:
1574:
1570:
1560:
1525:
1521:
1511:
1476:
1472:
1462:
1427:
1423:
1412:
1377:
1373:
1346:. Retrieved
1342:
1294:
1290:
1242:
1238:
1190:Pharmacology
1153:
1121:
1094:
1067:
1040:
1013:
986:
959:
932:
905:
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217:) drugs, 96
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146:Data release
123:Download URL
1231:Wishart, DS
238:metabolomic
50:Description
1663:Categories
1348:9 November
1211:References
250:pollutants
205:-approved
134:/downloads
84:Laboratory
58:Data types
294:Category
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