Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50304372'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hexokinase-4 (Homo sapiens (Human))	BDBM50304372 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCN(C)C2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H25N5O4S/c1-3-35(32,33)19-9-7-18(8-10-19)34-23-15-22-21(27-24(28-22)20-6-4-5-11-26-20)14-17(23)16-30-13-12-29(2)25(30)31/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,28)	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	80	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))	BDBM50304372 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCN(C)C2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H25N5O4S/c1-3-35(32,33)19-9-7-18(8-10-19)34-23-15-22-21(27-24(28-22)20-6-4-5-11-26-20)14-17(23)16-30-13-12-29(2)25(30)31/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,28)	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	320	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