Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50447262'   

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))	BDBM50447262 (CHEMBL3113983) Show SMILES CC1CS(=O)(=O)CCN1C[C@H]1CN(CCN1c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C23H30F3N3O5S3/c1-17-16-36(31,32)13-11-27(17)14-20-15-28(37(33,34)21-4-3-12-35-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,12,17,20,30H,9-11,13-16H2,1-2H3/t17?,20-,22?/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	90	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))	BDBM50447262 (CHEMBL3113983) Show SMILES CC1CS(=O)(=O)CCN1C[C@H]1CN(CCN1c1ccc(cc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1cccs1 |r| Show InChI InChI=1S/C23H30F3N3O5S3/c1-17-16-36(31,32)13-11-27(17)14-20-15-28(37(33,34)21-4-3-12-35-21)9-10-29(20)19-7-5-18(6-8-19)22(2,30)23(24,25)26/h3-8,12,17,20,30H,9-11,13-16H2,1-2H3/t17?,20-,22?/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