Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50053902'   

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))	BDBM50053902 (CHEMBL3319532) Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cc[nH]n1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19F6N7O3S/c21-19(22,23)18(34,20(24,25)26)12-9-14(15-3-4-30-31-15)17(29-10-12)32-5-7-33(8-6-32)37(35,36)13-1-2-16(27)28-11-13/h1-4,9-11,34H,5-8H2,(H2,27,28)(H,30,31)	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	201	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP compound incubated for 20 mins prior to addition of fluorescein...				J Med Chem 57: 5949-64 (2014) Article DOI: 10.1021/jm5001979 BindingDB Entry DOI: 10.7270/Q2J67JJ3
					More data for this Ligand-Target Pair
Hexokinase-4 (Mus musculus (Mouse))	BDBM50053902 (CHEMBL3319532) Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cc[nH]n1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19F6N7O3S/c21-19(22,23)18(34,20(24,25)26)12-9-14(15-3-4-30-31-15)17(29-10-12)32-5-7-33(8-6-32)37(35,36)13-1-2-16(27)28-11-13/h1-4,9-11,34H,5-8H2,(H2,27,28)(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...				J Med Chem 57: 5949-64 (2014) Article DOI: 10.1021/jm5001979 BindingDB Entry DOI: 10.7270/Q2J67JJ3
					More data for this Ligand-Target Pair