Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50041667'   

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))	BDBM50041667 (CHEMBL3358888) Show SMILES CCn1nccc1Oc1cc(C[C@H]2C[C@@](C)(O)C2)cnc1NC(=O)NC |r,wU:14.16,12.12,(20.43,-10.57,;18.93,-10.25,;17.9,-11.39,;18.22,-12.9,;16.88,-13.67,;15.74,-12.64,;16.36,-11.23,;15.59,-9.9,;14.05,-9.9,;13.28,-11.23,;11.74,-11.23,;10.97,-12.56,;9.43,-12.56,;8.34,-13.65,;7.26,-12.56,;6.17,-13.65,;6.17,-11.47,;8.34,-11.47,;10.97,-9.9,;11.74,-8.57,;13.28,-8.57,;14.05,-7.23,;13.28,-5.89,;14.05,-4.56,;11.74,-5.89,;10.97,-7.23,)| Show InChI InChI=1S/C18H25N5O3/c1-4-23-15(5-6-21-23)26-14-8-12(7-13-9-18(2,25)10-13)11-20-16(14)22-17(24)19-3/h5-6,8,11,13,25H,4,7,9-10H2,1-3H3,(H2,19,20,22,24)/t13-,18+	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	n/a	n/a	710	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose				ACS Med Chem Lett 5: 1284-9 (2014) Article DOI: 10.1021/ml500341w BindingDB Entry DOI: 10.7270/Q2KD20JZ
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