Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50053978'   

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))	BDBM50053978 (CHEMBL3319554) Show SMILES COc1ccc(cn1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F6N6O4S/c1-39-19-5-2-14(11-32-19)17-10-15(21(36,22(24,25)26)23(27,28)29)12-33-20(17)34-6-8-35(9-7-34)40(37,38)16-3-4-18(30)31-13-16/h2-5,10-13,36H,6-9H2,1H3,(H2,30,31)	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	16	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))	BDBM50053978 (CHEMBL3319554) Show SMILES COc1ccc(cn1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F6N6O4S/c1-39-19-5-2-14(11-32-19)17-10-15(21(36,22(24,25)26)23(27,28)29)12-33-20(17)34-6-8-35(9-7-34)40(37,38)16-3-4-18(30)31-13-16/h2-5,10-13,36H,6-9H2,1H3,(H2,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	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