BDBM50135163 3,4,5-Trihydroxy-benzoic acid (2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3-yl ester::CHEMBL338988
SMILES: Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
InChI Key: InChIKey=WMBWREPUVVBILR-RXVVDRJESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50135163 (3,4,5-Trihydroxy-benzoic acid (2S,3S)-5,7-dihydrox...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyungpook National University Curated by ChEMBL | Assay Description Inhibition of human Beta-secretase 1 | Bioorg Med Chem Lett 13: 3905-8 (2003) BindingDB Entry DOI: 10.7270/Q28K78HN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50135163 (3,4,5-Trihydroxy-benzoic acid (2S,3S)-5,7-dihydrox...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyungpook National University Curated by ChEMBL | Assay Description Inhibition of human Beta-secretase 1 | Bioorg Med Chem Lett 13: 3905-8 (2003) BindingDB Entry DOI: 10.7270/Q28K78HN | |||||||||||
More data for this Ligand-Target Pair |