BDBM78043 1-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione::1-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]pyrrolidine-2,5-dione::1-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]pyrrolidine-2,5-quinone::MLS000111282::SMR000107208::cid_2905372
SMILES: COc1ccc(cc1)-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O
InChI Key: InChIKey=PEGHWTSGSWEOTG-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TPA: Essential protein of the mitochondrial intermembrane space (Saccharomyces cerevisiae S288c) | BDBM78043 (1-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.72E+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, CA... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human)) | BDBM78043 (1-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.51E+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, CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20P0XHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-galactosidase (Escherichia coli) | BDBM78043 (1-(4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.66E+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 (2011) BindingDB Entry DOI: 10.7270/Q2NG4P4X | |||||||||||
More data for this Ligand-Target Pair |