BDBM50169031 CHEMBL3805905
SMILES: OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1
InChI Key: InChIKey=IXEYHLHOLROZNK-BVGQCQFASA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hexokinase type I (Homo sapiens (Human)) | BDBM50169031 (CHEMBL3805905) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of His-tagged human HK1 (11 to 917 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a... | ACS Med Chem Lett 7: 217-22 (2016) BindingDB Entry DOI: 10.7270/Q2PR7XWW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucokinase/Glucokinase regulatory protein (Homo sapiens (Human)) | BDBM50169031 (CHEMBL3805905) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HK4 (unknown origin) | ACS Med Chem Lett 7: 217-22 (2016) BindingDB Entry DOI: 10.7270/Q2PR7XWW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hexokinase-2 (Homo sapiens (Human)) | BDBM50169031 (CHEMBL3805905) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of HK2 in human UM-UC-3 cells using 2FDG as substrate assessed as suppression of G6P production preincubated for 30 mins followed by subst... | ACS Med Chem Lett 7: 217-22 (2016) BindingDB Entry DOI: 10.7270/Q2PR7XWW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hexokinase-2 (Homo sapiens (Human)) | BDBM50169031 (CHEMBL3805905) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a... | ACS Med Chem Lett 7: 217-22 (2016) BindingDB Entry DOI: 10.7270/Q2PR7XWW | |||||||||||
More data for this Ligand-Target Pair |