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]
Created with Highcharts 10.3.3ValuesChart context menuAldose reductasepKd HumanpKi HumanpIC50 HumanpEC50 Human012345Highcharts.com
  • carbonic anhydrase 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
Created with Highcharts 10.3.3ValuesChart context menuCarbonic anhydrase IXpKd HumanpKi HumanpIC50 HumanpEC50 Human02468Highcharts.com
  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
Created with Highcharts 10.3.3ValuesChart context menuCarbonic anhydrase XIIpKd HumanpKi HumanpIC50 HumanpEC50 Human0246810Highcharts.com
Created with Highcharts 10.3.3ValuesChart context menuCyclooxygenase-1pKd HumanpKi HumanpIC50 HumanpEC50 Human012345Highcharts.com
  • MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820]
Created with Highcharts 10.3.3ValuesChart context menuInduced myeloid leukemia cell differentiation protein Mcl-1pKd HumanpKi HumanpIC50 HumanpEC50 Human01234567Highcharts.com
  • lysine demethylase 5B/Lysine-specific demethylase 5B in Human [ChEMBL: CHEMBL3774295] [GtoPdb: 2681] [UniProtKB: Q9UGL1]
Created with Highcharts 10.3.3ValuesChart context menuLysine-specific demethylase 5BpKd HumanpKi HumanpIC50 HumanpEC50 Human0123456Highcharts.com
Created with Highcharts 10.3.3ValuesChart context menuSorbitol dehydrogenasepKd HumanpKi HumanpIC50 HumanpEC50 Human012345Highcharts.com
Created with Highcharts 10.3.3ValuesChart context menuSortase ApKd S.aureuspKi S.aureuspIC50 S.aureuspEC50 S.aureus012345Highcharts.com
  • xanthine dehydrogenase/Xanthine dehydrogenase in Human [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
Created with Highcharts 10.3.3ValuesChart context menuXanthine dehydrogenasepKd HumanpKi HumanpIC50 HumanpEC50 Human0123456Highcharts.com
  • CYP2A6 in Human [GtoPdb: 1321] [UniProtKB: P11509]
Created with Highcharts 10.3.3ValuesChart context menuCYP2A6pKd HumanpKi HumanpIC50 HumanpEC50 Human02468Highcharts.com
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]
lysine demethylase 5B/Lysine-specific demethylase 5B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3774295] [GtoPdb: 2681] [UniProtKB: Q9UGL1]
ChEMBL Inhibition of KDM5B (unknown origin) B 5.34 pIC50 4600 nM IC50 Eur J Med Chem (2020) 208: 112760-112760 [PMID:32883639]
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]
Sortase A in S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5362] [UniProtKB: Q9S446]
ChEMBL Inhibition of Staphylococcus aureus SrtA using FRET substrate incubated for 1 hr by FRET assay B 4.44 pIC50 36160 nM IC50 J Med Chem (2021) 64: 13097-13130 [PMID:34516107]
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 35:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]