BDBM50247507 CHEMBL4096039
SMILES: Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)cc1
InChI Key: InChIKey=QNVXTRRKWGDVAN-RQSWOZRGSA-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)) | BDBM50247507 (CHEMBL4096039) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | 5.20E+3 | 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 | 3D Structure (crystal) | ||||||||||||
Galectin-1 (Homo sapiens (Human)) | BDBM50247507 (CHEMBL4096039) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | 1.80E+5 | 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 |