null

SMILES: CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2c(O)coc2=O)-c2ccccn2)cc1

InChI Key: InChIKey=BAPBAUXCRHWOTP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50304377   

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))	BDBM50304377 (3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2c(O)coc2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H20N4O6S/c1-2-35(31,32)17-8-6-16(7-9-17)34-21-12-20-19(26-23(27-20)18-5-3-4-10-25-18)11-15(21)13-28-22(29)14-33-24(28)30/h3-12,14,29H,2,13H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304377 (3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2c(O)coc2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H20N4O6S/c1-2-35(31,32)17-8-6-16(7-9-17)34-21-12-20-19(26-23(27-20)18-5-3-4-10-25-18)11-15(21)13-28-22(29)14-33-24(28)30/h3-12,14,29H,2,13H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair