wedelolactone [Ligand Id: 5551] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL97453 (Wedelolactone)
  • 5-LOX/Arachidonate 5-lipoxygenase in Human [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
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  • CBR1/Carbonyl reductase [NADPH] 1 in Human [ChEMBL: CHEMBL5586] [GtoPdb: 1383] [UniProtKB: P16152]
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  • Glucose-6-phosphate 1-dehydrogenase in Human [ChEMBL: CHEMBL5347] [UniProtKB: P11413]
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  • component of inhibitor of nuclear factor kappa B kinase complex/Inhibitor of nuclear factor kappa B kinase alpha subunit in Human [ChEMBL: CHEMBL3476] [GtoPdb: 1989] [UniProtKB: O15111]
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  • inhibitor of nuclear factor kappa B kinase subunit beta/Inhibitor of nuclear factor kappa B kinase beta subunit in Human [ChEMBL: CHEMBL1991] [GtoPdb: 2039] [UniProtKB: O14920]
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  • embryonic ectoderm development/Polycomb protein EED in Human [ChEMBL: CHEMBL2189117] [GtoPdb: 2487] [UniProtKB: O75530]
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  • Organic cation transporter 1/Solute carrier family 22 member 1 in Human [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245]
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  • Organic cation transporter 2/Solute carrier family 22 member 2 in Human [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244]
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  • Telomere resolvase resT in Borrelia burgdorferi (strain ATCC 35210 / B31 / CIP 102532 / DSM4680) [ChEMBL: CHEMBL1667698] [UniProtKB: O50979]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
ChEMBL Tested for the inhibitory activity against 5-lipoxygenase B 5.6 pIC50 2500 nM IC50 Bioorg Med Chem Lett (2001) 11: 283-286 [PMID:11212092]
CBR1/Carbonyl reductase [NADPH] 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5586] [GtoPdb: 1383] [UniProtKB: P16152]
ChEMBL Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate B 6.22 pKi 600 nM Ki Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799]
GtoPdb - - 5.42 pIC50 3780 nM IC50 Bioorg Med Chem (2009) 17: 530-6 [PMID:19097799]
ChEMBL Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate B 5.42 pIC50 3780 nM IC50 Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799]
GABAA receptor π subunit/GABAA receptor β1 subunit/GABAA receptor δ subunit/GABAA receptor γ2 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor γ1 subunit/GABAA receptor α2 subunit/GABAA receptor α4 subunit/GABAA receptor γ3 subunit/GABAA receptor α6 subunit/GABAA receptor α1 subunit/GABAA receptor β3 subunit/GABAA receptor β2 subunit/GABAA receptor ε subunit/GABA-A receptor; anion channel in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL1907607] [GtoPdb: 419, 410, 416, 414, 408, 406, 413, 405, 407, 415, 409, 404, 412, 411, 417] [UniProtKB: O09028, P15431, P18506, P18508, P19969, P20236, P23574, P23576, P28471, P28473, P30191, P62813, P63079, P63138, Q91ZM7, Q9ES14]
ChEMBL Inhibition of [3H]flunitrazepam binding to rat brain synaptosomes B 5.7 pIC50 2000 nM IC50 Bioorg Med Chem Lett (2001) 11: 283-286 [PMID:11212092]
Glucose-6-phosphate 1-dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5347] [UniProtKB: P11413]
ChEMBL Binding affinity to G6PD (unknown origin) assessed as equilibrium dissociation constant by surface plasmon resonance assay B 5.44 pKd 3640 nM Kd Bioorg Med Chem Lett (2021) 40: 127905-127905 [PMID:33689874]
ChEMBL Non-competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysis B 5 pKi 9941 nM Ki Bioorg Med Chem Lett (2021) 40: 127905-127905 [PMID:33689874]
ChEMBL Non-competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten analysis B 5.24 pKi 5793 nM Ki Bioorg Med Chem Lett (2021) 40: 127905-127905 [PMID:33689874]
ChEMBL Competitive inhibition of G6PD (unknown origin) using varying concentrations of G6P and NADP+ as substrate by Michaelis-Menten analysis B 5.6 pKi 2537 nM Ki Bioorg Med Chem Lett (2021) 40: 127905-127905 [PMID:33689874]
ChEMBL Competitive inhibition of G6PD (unknown origin) using glucose-6-phosphate and varying concentrations of NADP+ as substrate by Michaelis-Menten analysis B 5.92 pKi 1191 nM Ki Bioorg Med Chem Lett (2021) 40: 127905-127905 [PMID:33689874]
ChEMBL Inhibition of G6PD (unknown origin) assessed as reduction in 6-phospho-D-glucono-1,5-lactone and NADPH production using glucose-6-phosphate and NADP+ as substrate incubated for 15 mins by UV absorption photometry assay B 5.29 pIC50 5180 nM IC50 Bioorg Med Chem Lett (2021) 40: 127905-127905 [PMID:33689874]
component of inhibitor of nuclear factor kappa B kinase complex/Inhibitor of nuclear factor kappa B kinase alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3476] [GtoPdb: 1989] [UniProtKB: O15111]
ChEMBL Inhibition of IKK1 B 5 pIC50 >10000 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
inhibitor of nuclear factor kappa B kinase subunit beta/Inhibitor of nuclear factor kappa B kinase beta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1991] [GtoPdb: 2039] [UniProtKB: O14920]
ChEMBL Inhibition of IKK-beta B 5 pIC50 >10000 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
embryonic ectoderm development/Polycomb protein EED in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189117] [GtoPdb: 2487] [UniProtKB: O75530]
ChEMBL Binding affinity to CM5 sensor chip immobilised EED (unknown origin) assessed as dissociation constant incubated for 270 secs by SPR analysis B 5.55 pKd 2820 nM Kd Eur J Med Chem (2022) 238: 114419-114419 [PMID:35569264]
ChEMBL Binding affinity to EED (unknown origin) assessed as dissociation constant SPR assay B 5.55 pKd 2820 nM Kd Eur J Med Chem (2022) 231: 114144-114144 [PMID:35093670]
ChEMBL Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis B 5.55 pKd 2820 nM Kd J Med Chem (2021) 64: 11774-11797 [PMID:34351144]
ChEMBL Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis B 5.55 pKd 2820 nM Kd RSC Med Chem (2022) 13: 39-53 [PMID:35224495]
ChEMBL Binding affinity to EED (unknown origin) by surface plasmon resonance assay B 5.55 pKd 2800 nM Kd J Med Chem (2020) 63: 15344-15370 [PMID:33283516]
Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245]
ChEMBL Inhibition of OCT1(unknown origin)-mediated ASP+ uptake in HEK293 cells expressing OCT1 using ASP+ as substrate incubated for 5 mins B 4.42 pIC50 38400 nM IC50 J Nat Prod (2023) 86: 191-198 [PMID:36563333]
Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244]
ChEMBL Inhibition of OCT2(unknown origin)-mediated ASP+ uptake in HEK293 cells expressing OCT2 using ASP+ as substrate incubated for 5 mins B 4.76 pIC50 17330 nM IC50 J Nat Prod (2023) 86: 191-198 [PMID:36563333]
Telomere resolvase resT in Borrelia burgdorferi (strain ATCC 35210 / B31 / CIP 102532 / DSM4680) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1667698] [UniProtKB: O50979]
ChEMBL Inhibition of Borrelia burgdorferi telomere resolvase by gel-based telomere resolution assay B 5.06 pIC50 8670 nM IC50 Antimicrob Agents Chemother (2009) 53: 4441-4449 [PMID:19596868]

ChEMBL data shown on this page come from version 34:

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]