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ChEMBL

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ChEMBL Statistics
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UniChem Connectivity Layer Cross References

Legend

Letters 's', 'i' and 'p' describe how structures differ from structure with InChI Key LNPDTQAFDNKSHK-UHFFFAOYSA-N

  • s = stereochemical difference.
  • i = isotopic difference.
  • p = protonation differences identified.



Source Identical Component s i p si ip sp sip
ChEMBL CHEMBL865
DrugBank DB00580
PDBe COX
Guide to Pharmacology 2894
PubChem: Drugs of the Future 12015079
ChEBI 63634
NIH Clinical Collection SAM001246603
ZINC ZINC000000006694
eMolecules 877479 27524647
IBM Patent System ADF1BACDAAD8325091113DCC0D45AC95 CDDBF8C6A59B412BDCAF2CB1DF76AA08 2B8E65AD6AAC448B0C7672B494F82F98 93FA1E68157229375FC74621FEA325BB
FDA SRS 2919279Q3W
SureChEMBL SCHEMBL5999213 SCHEMBL6596686 SCHEMBL6601157 SCHEMBL6599592 SCHEMBL6600319 SCHEMBL2132719 SCHEMBL3820315 SCHEMBL6601688 SCHEMBL6597950 SCHEMBL6595827 SCHEMBL6064580 SCHEMBL4030398 SCHEMBL6599233 SCHEMBL6601355 SCHEMBL5998054 SCHEMBL6598077 SCHEMBL6256407 SCHEMBL6379339 SCHEMBL6598382 SCHEMBL5564828 SCHEMBL6598081 SCHEMBL6598894 SCHEMBL6597913 SCHEMBL20544302 SCHEMBL6599131 SCHEMBL6063609 SCHEMBL3356 SCHEMBL6601366 SCHEMBL6598776 SCHEMBL6234601 SCHEMBL6598685 SCHEMBL6064029 SCHEMBL3987541 SCHEMBL6599762 SCHEMBL6597862 SCHEMBL6601525 SCHEMBL6598652 SCHEMBL2900835
PharmGKB PA10226
Human Metabolome Database HMDB0005033
Selleck valdecoxib
PubChem: Thomson Pharma 14864896 14864256 14815578 16322148 15422102 17169969 14850214 16542709 14932702 14938157
PubChem 69834029 88015063 11857238 69834053 91230295 69833815 9957034 69834673 69834444 69630929 88015702 87965177 88015731 69651819 87612269 88015410 69630551 11238177 10404893 9897156 9896503 9853511 88015791 68801837 135365246 88015280 88015368 88015264 69834317 69835022 9962356 69651577 119607 11444472 69834230 69714687 69834207 69651679 69834121 67288951 69834482 69834008 91437797 88015767 88015344 68433576 46783221 76973821 76973096
NMRShiftDB 20082
LINCS LSM-5305
ACToR 181695-72-7
MolPort MolPort-000-883-874
Nikkaji J1.302.764A
BindingDB 13063
EPA CompTox Dashboard DTXSID6044226 DTXSID30676191
DrugCentral 2799
Brenda 197372 3038
ChemicalBook CB4754453

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/key_search/LNPDTQAFDNKSHK-UHFFFAOYSA-N/0/0/4
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