BDBM42000 7-methyl-2-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid::7-methyl-2-(3,4,5-trihydroxy-6-oxo-9-xanthenyl)-3-bicyclo[2.2.1]hept-5-enecarboxylic acid::7-methyl-2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid::7-methyl-2-[3,4,5-tris(oxidanyl)-6-oxidanylidene-xanthen-9-yl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid::MLS-0111619.0001::cid_274125
SMILES: [H]C12C=CC([H])(C1C)C(C2C(O)=O)c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
InChI Key: InChIKey=BSAMRWOMXJWVCE-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
heat shock 70kDa protein 8 isoform 2 (Homo sapiens (Human)) | BDBM42000 (7-methyl-2-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 5.58E+3 | 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-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q20G3HKD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat Shock 70kDa Protein 1 (Homo sapiens (Human)) | BDBM42000 (7-methyl-2-(3,4,5-trihydroxy-6-keto-xanthen-9-yl)b...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 634 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S75DRW | |||||||||||
More data for this Ligand-Target Pair |