BDBM95296 (4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-quinone::(4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione::(4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(1-imidazolyl)propyl]pyrrolidine-2,3-dione::(4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione::MLS001139444::SMR000647086::cid_5927505
SMILES: Brc1cccc(c1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1CCCn1ccnc1
InChI Key: InChIKey=WQWWFGWWJBZHMM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM95296 ((4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KD1WJB | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM95296 ((4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q29W0D3P | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM95296 ((4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodio...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FN14T0 | ||||||||||||
More data for this Ligand-Target Pair |