BDBM50273580 CHEMBL503116::N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3-methoxybenzene)amido]oxan-2-yl]sulfanyl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-3-methoxybenzamide
SMILES: COc1cccc(c1)C(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
InChI Key: InChIKey=QBKIEMZLDPHISU-CWKIZLMASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Galectin-3 (Homo sapiens (Human)) | BDBM50273580 (CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Binding affinity to galectin 3 at 20 degC by fluorescence polarization assay | J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Galectin-1 (Homo sapiens (Human)) | BDBM50273580 (CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Binding affinity to galectin 1 at 0 degC by fluorescence polarization assay | J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-7 (Homo sapiens (Human)) | BDBM50273580 (CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Binding affinity to galectin 7 at 0 degC by fluorescence polarization assay | J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-9 (Homo sapiens (Human)) | BDBM50273580 (CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Binding affinity to galectin 9N terminal domain at 0 degC by fluorescence polarization assay | J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-8 (Homo sapiens (Human)) | BDBM50273580 (CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Binding affinity to galectin 8N terminal domain at 20 degC by fluorescence polarization assay | J Med Chem 51: 8109-14 (2008) Article DOI: 10.1021/jm801077j BindingDB Entry DOI: 10.7270/Q29W0GDJ | |||||||||||
More data for this Ligand-Target Pair |