BDBM50247476 CHEMBL4091143
SMILES: OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cccc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cccc(F)c1
InChI Key: InChIKey=RZMQTPWDGUYZLW-MQFIMZJJSA-N
Data: 4 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)) | BDBM50247476![]() (CHEMBL4091143) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Binding affinity to human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analy... | J Med Chem 61: 1164-1175 (2018) BindingDB Entry DOI: 10.7270/Q2794743 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-3 (Homo sapiens (Human)) | BDBM50247476![]() (CHEMBL4091143) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-... | J Med Chem 61: 1164-1175 (2018) BindingDB Entry DOI: 10.7270/Q2794743 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-1 (Homo sapiens (Human)) | BDBM50247476![]() (CHEMBL4091143) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta... | J Med Chem 61: 1164-1175 (2018) BindingDB Entry DOI: 10.7270/Q2794743 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Galectin-3 (Homo sapiens (Human)) | BDBM50247476![]() (CHEMBL4091143) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a |
Lund University Curated by ChEMBL | Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-... | J Med Chem 61: 1164-1175 (2018) BindingDB Entry DOI: 10.7270/Q2794743 | |||||||||||
More data for this Ligand-Target Pair |