null

SMILES: CC(CCO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1

InChI Key: InChIKey=CIEKVPSDCFZVBR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50294869   

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))	BDBM50294869 ((+/-)-3-(3-Hydroxy-1-methylpropoxy)-5-[4-(methylsu...) Show SMILES CC(CCO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C21H22N2O6S2/c1-14(7-9-24)28-17-11-15(20(25)23-21-22-8-10-30-21)12-18(13-17)29-16-3-5-19(6-4-16)31(2,26)27/h3-6,8,10-14,24H,7,9H2,1-2H3,(H,22,23,25)	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	60	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))	BDBM50294869 ((+/-)-3-(3-Hydroxy-1-methylpropoxy)-5-[4-(methylsu...) Show SMILES CC(CCO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C21H22N2O6S2/c1-14(7-9-24)28-17-11-15(20(25)23-21-22-8-10-30-21)12-18(13-17)29-16-3-5-19(6-4-16)31(2,26)27/h3-6,8,10-14,24H,7,9H2,1-2H3,(H,22,23,25)	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	150	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