Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50025814'   

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))	BDBM50025814 (CHEMBL3338070) Show SMILES CNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1C Show InChI InChI=1S/C18H17N5O2S/c1-12-14(6-5-9-20-12)25-15-10-13(26-16-7-3-4-8-21-16)11-22-17(15)23-18(24)19-2/h3-11H,1-2H3,(H2,19,22,23,24)	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	262	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...				J Med Chem 57: 8180-6 (2014) Article DOI: 10.1021/jm501204z BindingDB Entry DOI: 10.7270/Q2BK1DX1
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50025814 (CHEMBL3338070) Show SMILES CNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1C Show InChI InChI=1S/C18H17N5O2S/c1-12-14(6-5-9-20-12)25-15-10-13(26-16-7-3-4-8-21-16)11-22-17(15)23-18(24)19-2/h3-11H,1-2H3,(H2,19,22,23,24)	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	1.85E+3	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...				J Med Chem 57: 8180-6 (2014) Article DOI: 10.1021/jm501204z BindingDB Entry DOI: 10.7270/Q2BK1DX1
					More data for this Ligand-Target Pair