BDBM50077225 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]thio}tetrahydro-2H-pyran-3,4,5-triol::CHEMBL52011::THIODIGALACTOSIDE
SMILES: OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChI Key: InChIKey=SYKYBMOFPMXDRQ-ZFDCCPEWSA-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)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a |
Utrecht University Curated by ChEMBL | Assay Description Binding affinity to galectin-3 (unknown origin) by fluorescence polarization assay | J Med Chem 56: 1350-4 (2013) Article DOI: 10.1021/jm301677r BindingDB Entry DOI: 10.7270/Q2NK3GBS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Galectin-9 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 3.80E+4 | 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 human galectin-9 N-terminal 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-1 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 7.80E+4 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Binding affinity to galectin 1 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-3 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 4.90E+4 | 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-8 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 6.10E+4 | 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)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 3.80E+4 | 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-7 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 1.60E+5 | 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-7 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a | n/a |
The Hashemite University Curated by ChEMBL | Assay Description Binding affinity to human galectin 7 at 4 degC by competitive fluorescence polarization assay | Bioorg Med Chem 18: 5367-78 (2010) Article DOI: 10.1016/j.bmc.2010.05.040 BindingDB Entry DOI: 10.7270/Q2FQ9XMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-8 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 6.10E+4 | n/a | n/a | n/a | n/a | n/a |
The Hashemite University Curated by ChEMBL | Assay Description Binding affinity to human galectin 8 N-terminal domain at 20 degC by competitive fluorescence polarization assay | Bioorg Med Chem 18: 5367-78 (2010) Article DOI: 10.1016/j.bmc.2010.05.040 BindingDB Entry DOI: 10.7270/Q2FQ9XMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-9 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a |
The Hashemite University Curated by ChEMBL | Assay Description Binding affinity to human galectin 9 N-terminal domain at 20 degC by competitive fluorescence polarization assay | Bioorg Med Chem 18: 5367-78 (2010) Article DOI: 10.1016/j.bmc.2010.05.040 BindingDB Entry DOI: 10.7270/Q2FQ9XMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-3 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a |
The Hashemite University Curated by ChEMBL | Assay Description Binding affinity to human galectin 3 at 20 degC by competitive fluorescence polarization assay | Bioorg Med Chem 18: 5367-78 (2010) Article DOI: 10.1016/j.bmc.2010.05.040 BindingDB Entry DOI: 10.7270/Q2FQ9XMJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Galectin-2 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 3.40E+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-2 after 5 mins in presence of fluorescent probe ,3'-dideoxy-3-[4-(fluorescein-5-yl-carbony... | J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-4 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 9.80E+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-4 C-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5/6-yl-carbonyl)... | 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)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 4.20E+4 | 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 C-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-... | J Med Chem 59: 8141-7 (2016) Article DOI: 10.1021/acs.jmedchem.6b00957 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-1 (Rattus norvegicus) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 2.40E+4 | 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 rat galectin-1 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-7 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 1.60E+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 human galectin-7 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)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 6.10E+4 | 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 human galectin-8 N-terminal 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-3 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 4.90E+4 | 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 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 | 3D Structure (crystal) | ||||||||||||
Galectin-4 (Homo sapiens (Human)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | n/a | 4.10E+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-4 N-terminal after 5 mins in presence of fluorescent probe 3,3'-dideoxy-3-[4-(fluorescein-... | 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)) | BDBM50077225 ((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a |
Utrecht University Curated by ChEMBL | Assay Description Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay | J Med Chem 56: 1350-4 (2013) Article DOI: 10.1021/jm301677r BindingDB Entry DOI: 10.7270/Q2NK3GBS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |