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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  • 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 EED (unknown origin) by surface plasmon resonance assay B 5.55 pKd 2800 nM Kd J Med Chem (2020) 63: 15344-15370 [PMID:33283516]
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 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]