BDBM50088447 (+)-ARTEMISININ::(+)-Artemisinin::CHEBI:223316
SMILES: [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4
InChI Key: InChIKey=BLUAFEHZUWYNDE-NNWCWBAJSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Competitive reversible inhibition of CYP2B6 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 10 mins by Dixon pl... | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Competitive inhibition of recombinant CYP3A4 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 3 mins | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of recombinant CYP2B6 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 10 mins by LC-MS analysis | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 10 mins by LC-MS analysis | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Activation of human PXR expressed in human LS174T cells | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Induction of CYP2B6 in human hepatocytes after 72 hrs relative to vehicle-treated control | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Induction of CYP3A4 in human hepatocytes after 72 hrs relative to vehicle-treated control | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (fumarate) (Leishmania major) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.58E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo Curated by ChEMBL | Assay Description Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured... | Eur J Med Chem 157: 852-866 (2018) Article DOI: 10.1016/j.ejmech.2018.08.033 BindingDB Entry DOI: 10.7270/Q2FJ2KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (fumarate) (Leishmania major) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.72E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo Curated by ChEMBL | Assay Description Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured... | Eur J Med Chem 157: 852-866 (2018) Article DOI: 10.1016/j.ejmech.2018.08.033 BindingDB Entry DOI: 10.7270/Q2FJ2KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of recombinant CYP3A4 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 3 mins by LC-MS analysis | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50088447 ((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 3 mins by LC-MS analysis | Drug Metab Dispos 40: 1757-64 (2012) Article DOI: 10.1124/dmd.112.045765 BindingDB Entry DOI: 10.7270/Q2QJ7K0B | |||||||||||
More data for this Ligand-Target Pair |