esculetin [Ligand Id: 5180] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL244743 (6,7-Dihydroxycoumarin, Esculetin)
  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
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  • carbonic anhydrase 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
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  • MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820]
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  • xanthine dehydrogenase/Xanthine dehydrogenase in Human [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
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  • CYP2A6 in Human [GtoPdb: 1321] [UniProtKB: P11509]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis B 4.17 pIC50 67200 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 5630-5633 [PMID:20805028]
carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
ChEMBL Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay B 7.44 pKi 36.4 nM Ki Eur J Med Chem (2018) 143: 276-282 [PMID:29197732]
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
ChEMBL Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay B 8.03 pKi 9.3 nM Ki Eur J Med Chem (2018) 143: 276-282 [PMID:29197732]
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
ChEMBL Inhibition of COX1 B 4.24 pIC50 57000 nM IC50 J. Nat. Prod. (2005) 68: 985-991 [PMID:16038536]
MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820]
ChEMBL Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay B 5.83 pKi 1490 nM Ki Bioorg Med Chem (2021) 29: 115851-115851 [PMID:33218896]
ChEMBL Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay B 5.06 pIC50 8770 nM IC50 Bioorg Med Chem (2021) 29: 115851-115851 [PMID:33218896]
Sorbitol dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2275] [UniProtKB: Q00796]
ChEMBL Inhibition sorbitol dehydrogenase by spectrophotometric analysis B 4.08 pIC50 82900 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 5630-5633 [PMID:20805028]
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
ChEMBL Inhibition of xanthine oxidase B 5.09 pIC50 8200 nM IC50 Eur. J. Med. Chem. (2007) 42: 1028-1031 [PMID:17316915]
CYP2A6 in Human [GtoPdb: 1321] [UniProtKB: P11509]
GtoPdb - - 6.41 pIC50 390 nM IC50 Eur J Pharm Sci (2019) 136: 104944 [PMID:31163215]

ChEMBL data shown on this page come from version 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]