null

SMILES: CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(c2)C(=O)Nc2nccs2)cc1

InChI Key: InChIKey=IPUJCEBFTDHXQV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50294875   

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-4 (Homo sapiens (Human))	BDBM50294875 (3-(Cyclopentyloxy)-5-[4-(methylsulfonyl)phenoxy]-N...) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(c2)C(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C22H22N2O5S2/c1-31(26,27)20-8-6-17(7-9-20)29-19-13-15(21(25)24-22-23-10-11-30-22)12-18(14-19)28-16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...				Bioorg Med Chem 17: 3800-9 (2009) Article DOI: 10.1016/j.bmc.2009.04.040 BindingDB Entry DOI: 10.7270/Q21R6QJN
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50294875 (3-(Cyclopentyloxy)-5-[4-(methylsulfonyl)phenoxy]-N...) Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(c2)C(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C22H22N2O5S2/c1-31(26,27)20-8-6-17(7-9-20)29-19-13-15(21(25)24-22-23-10-11-30-22)12-18(14-19)28-16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...				Bioorg Med Chem 17: 3800-9 (2009) Article DOI: 10.1016/j.bmc.2009.04.040 BindingDB Entry DOI: 10.7270/Q21R6QJN
					More data for this Ligand-Target Pair