BDBM43484 (3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-9-oxidanyl-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione::(3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione::(3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-quinone::(3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione::Helenalin::MLS000728512::SMR000445626::cid_23205
SMILES: C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
InChI Key: InChIKey=ZVLOPMNVFLSSAA-XEPQRQSNSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21J984Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2KW5DG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2G73C3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein coupled receptor 55 (Homo sapiens (Human)) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2348HSG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcriptional activator Myb (Gallus gallus) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of M£nster Curated by ChEMBL | Assay Description Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken HD11 cells after 24 hrs by GFP assay | Eur J Med Chem 63: 313-20 (2013) Article DOI: 10.1016/j.ejmech.2013.02.018 BindingDB Entry DOI: 10.7270/Q2DB8376 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin II receptor (Homo sapiens (Human)) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CJ8BXT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XBP1 (Homo sapiens (Human)) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transcriptional activator Myb (Gallus gallus) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of M£nster Curated by ChEMBL | Assay Description Inhibition of c-Myb-induced mim-1 gene expression in doxycyclin-treated chicken HD11 cells after 24 hrs by GFP assay | Eur J Med Chem 63: 313-20 (2013) Article DOI: 10.1016/j.ejmech.2013.02.018 BindingDB Entry DOI: 10.7270/Q2DB8376 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apelin receptor (Homo sapiens (Human)) | BDBM43484 ((3aR,5R,5aR,8aR,9S,9aS)-5,8a-dimethyl-1-methyliden...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE KEGG PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MK6BBZ | |||||||||||
More data for this Ligand-Target Pair |