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BDBM79207 MLS002153966::Methyl benzethonium chloride::SMR001233305::benzyl-dimethyl-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium;chloride::benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride::cid_5702238::dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)ammonium;chloride::dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)azanium;chloride
SMILES: Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C
InChI Key: InChIKey=UQOOPIMXBSPVJI-UHFFFAOYSA-N
Data: 6 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human)) | BDBM79207 (MLS002153966 | Methyl benzethonium chloride | SMR0...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet  | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.49E+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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB4462 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bfl-1 (Mus musculus (Mouse)) | BDBM79207 (MLS002153966 | Methyl benzethonium chloride | SMR0...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.49E+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/Q25D8Q92 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM79207 (MLS002153966 | Methyl benzethonium chloride | SMR0...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.00E+5 | 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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Caspase-9 (Homo sapiens (Human)) | BDBM79207 (MLS002153966 | Methyl benzethonium chloride | SMR0...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.91E+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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Apoptotic peptidase activating factor 1 (Homo sapiens (Human)) | BDBM79207 (MLS002153966 | Methyl benzethonium chloride | SMR0...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.13E+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 (SBIMR, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human)) | BDBM79207 (MLS002153966 | Methyl benzethonium chloride | SMR0...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.92E+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 CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
