BDBM79646 6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide::6-fluoro-4-oxido-7-(1-pyrrolidinyl)-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide::6-fluoro-4-oxido-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide::6-fluoro-4-oxido-7-pyrrolidino-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide::6-fluoro-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline 4,9-dioxide::MLS000045751::SMR000027708::cid_3242663
SMILES: [O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12
InChI Key: InChIKey=IJUUDWIVXGTXPF-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cardiac alpha tropomyosin (Sus scrofa) | BDBM79646 (6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >2.65E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q21N7ZKB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human)) | BDBM79646 (6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dih...) | PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2R49PFB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chain E, Fragment Double-D From Human Fibrin (Homo sapiens (Human)) | BDBM79646 (6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dih...) | PDB MMDB Reactome pathway B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2VX0F59 | |||||||||||
More data for this Ligand-Target Pair |