BDBM43483 (3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione::(3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-quinone::(3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione::Aromaticin::MLS000728520::SMR000445634::cid_282529
SMILES: C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1C=CC2=O
InChI Key: InChIKey=OSSDUQKWVVZIGP-SCGWIAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MDM2-MDMX (Homo sapiens (Human)) | BDBM43483 ((3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 590 | 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 | |||||||||||||
Bcl-2-like protein 11 (Homo sapiens (Human)) | BDBM43483 ((3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XBP1 (Homo sapiens (Human)) | BDBM43483 ((3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.55E+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 | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM43483 ((3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 970 | 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 | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM43483 ((3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylene-3a,...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 970 | 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 |