BDBM95305 1,3-benzodioxole-5-carboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester::MLS002246443::SMR001310057::[2-(2,4-dimethoxyanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate::[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate::cid_2393215::piperonylic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester
SMILES: COc1ccc(NC(=O)COC(=O)c2ccc3OCOc3c2)c(OC)c1
InChI Key: InChIKey=OZJXDKULNWMDPR-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...) | BDBM95305 (1,3-benzodioxole-5-carboxylic acid [2-(2,4-dimetho...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >6.70E+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...) | BDBM95305 (1,3-benzodioxole-5-carboxylic acid [2-(2,4-dimetho...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.44E+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/Q29W0D3P | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM95305 (1,3-benzodioxole-5-carboxylic acid [2-(2,4-dimetho...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.77E+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/Q2FN14T0 | ||||||||||||
More data for this Ligand-Target Pair |