Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50304384'   

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))	BDBM50304384 (3-(5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CCC(=O)N(C)C)-c2ccccn2)cc1 Show InChI InChI=1S/C25H26N4O4S/c1-4-34(31,32)19-11-9-18(10-12-19)33-23-16-22-21(15-17(23)8-13-24(30)29(2)3)27-25(28-22)20-7-5-6-14-26-20/h5-7,9-12,14-16H,4,8,13H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	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))	BDBM50304384 (3-(5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CCC(=O)N(C)C)-c2ccccn2)cc1 Show InChI InChI=1S/C25H26N4O4S/c1-4-34(31,32)19-11-9-18(10-12-19)33-23-16-22-21(15-17(23)8-13-24(30)29(2)3)27-25(28-22)20-7-5-6-14-26-20/h5-7,9-12,14-16H,4,8,13H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	620	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