Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50447289'   

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))	BDBM50447289 (CHEMBL3113981) Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCC(F)(F)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r| Show InChI InChI=1S/C23H28F5N3O3S2/c1-21(32,23(26,27)28)17-4-6-18(7-5-17)31-13-12-30(36(33,34)20-3-2-14-35-20)16-19(31)15-29-10-8-22(24,25)9-11-29/h2-7,14,19,32H,8-13,15-16H2,1H3/t19-,21?/m0/s1	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	439	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 incubated for 20 mins prior to addition of fluorescein-labeled ...				J Med Chem 57: 325-38 (2014) Article DOI: 10.1021/jm4016747 BindingDB Entry DOI: 10.7270/Q2Q241Q5
					More data for this Ligand-Target Pair
Hexokinase-4 (Mus musculus (Mouse))	BDBM50447289 (CHEMBL3113981) Show SMILES CC(O)(c1ccc(cc1)N1CCN(C[C@@H]1CN1CCC(F)(F)CC1)S(=O)(=O)c1cccs1)C(F)(F)F |r| Show InChI InChI=1S/C23H28F5N3O3S2/c1-21(32,23(26,27)28)17-4-6-18(7-5-17)31-13-12-30(36(33,34)20-3-2-14-35-20)16-19(31)15-29-10-8-22(24,25)9-11-29/h2-7,14,19,32H,8-13,15-16H2,1H3/t19-,21?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.25E+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: 325-38 (2014) Article DOI: 10.1021/jm4016747 BindingDB Entry DOI: 10.7270/Q2Q241Q5
					More data for this Ligand-Target Pair