BDBM41964 6-[(2-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-benzodioxol-5-ol::6-[(2-methoxyphenyl)-morpholin-4-yl-methyl]-1,3-benzodioxol-5-ol::6-[(2-methoxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol::6-[(2-methoxyphenyl)-morpholino-methyl]sesamol::NSC381579::cid_343011
SMILES: COc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O
InChI Key: InChIKey=CSQQCASHAULUEU-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human)) | BDBM41964 (6-[(2-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein disulfide-isomerase (Homo sapiens (Human)) | BDBM41964 (6-[(2-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mothers against decapentaplegic homolog 3 (Homo sapiens (Human)) | BDBM41964 (6-[(2-methoxyphenyl)-(4-morpholinyl)methyl]-1,3-be...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | <2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21R6NZ6 | |||||||||||
More data for this Ligand-Target Pair |