BDBM50247481 CHEMBL4077188
SMILES: CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@@H]1O
InChI Key: InChIKey=GPCIILRUPMETEY-VHHGYJNHSA-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)) | BDBM50247481![]() (CHEMBL4077188) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | KEGG PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | 19 | 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-1 (Homo sapiens (Human)) | BDBM50247481![]() (CHEMBL4077188) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | KEGG PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | 6.30E+4 | 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)) | BDBM50247481![]() (CHEMBL4077188) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | KEGG PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | 2.40E+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 | |||||||||||||
Galectin-3 (Homo sapiens (Human)) | BDBM50247481![]() (CHEMBL4077188) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | KEGG PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | 15 | 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 |