BDBM50273581 CHEMBL444662::N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(naphthalene-2-amido)oxan-2-yl]sulfanyl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
SMILES: OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O
InChI Key: InChIKey=GQWSITVOKHOLLL-SCODVAETSA-N
Data: 10 Kd
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)) | BDBM50273581 (CHEMBL444662 | 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 UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.70E+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 | |||||||||||||
Galectin-1 (Homo sapiens (Human)) | BDBM50273581 (CHEMBL444662 | 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 UniChem Similars | Article PubMed | n/a | n/a | n/a | 9.60E+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-8 (Homo sapiens (Human)) | BDBM50273581 (CHEMBL444662 | 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 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 | |||||||||||||
Galectin-9 (Homo sapiens (Human)) | BDBM50273581 (CHEMBL444662 | 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 UniChem Similars | Article PubMed | n/a | n/a | n/a | 730 | 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-3 (Homo sapiens (Human)) | BDBM50273581 (CHEMBL444662 | 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 UniChem Similars | Article PubMed | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a |
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL | Assay Description Competitive binding affinity to recombinant human galectin-3 after 5 mins in presence of fluorescent probe by fluorescence polarization assay | J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-8 (Homo sapiens (Human)) | BDBM50273581 (CHEMBL444662 | 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 UniChem Similars | Article PubMed | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL | Assay Description Competitive binding affinity to recombinant human galectin-8 N-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5-yl-carbonylami... | J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-1 (Homo sapiens (Human)) | BDBM50273581 (CHEMBL444662 | 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 UniChem Similars | Article PubMed | n/a | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL | Assay Description Competitive binding affinity to recombinant human galectin-1 after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbon... | J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-9 (Homo sapiens (Human)) | BDBM50273581 (CHEMBL444662 | 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 UniChem Similars | Article PubMed | n/a | n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a |
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL | Assay Description Competitive binding affinity to recombinant human galectin-9 N-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5-yl-carbonylami... | J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-7 (Mus musculus) | BDBM50273581 (CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Science Education and Research-Kolkata (IISER) Kolkata Curated by ChEMBL | Assay Description Competitive binding affinity to recombinant mouse galectin-7 after 5 mins in presence of fluorescent probe beta-D-galactopyranosyl(1-4)-2- acetamido-... | J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-7 (Homo sapiens (Human)) | BDBM50273581 (CHEMBL444662 | 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 UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.70E+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 |