Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50533163'   

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))	BDBM50533163 (CHEMBL4528539) Show SMILES CCOc1ccc(cn1)-c1cnc(NC(=O)NC)cc1Oc1c(F)cccc1F Show InChI InChI=1S/C20H18F2N4O3/c1-3-28-18-8-7-12(10-25-18)13-11-24-17(26-20(27)23-2)9-16(13)29-19-14(21)5-4-6-15(19)22/h4-11H,3H2,1-2H3,(H2,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human recombinant glucokinase using 5 mM glucose monitored over 5 mins in presence of NAD+ and glucose 6-phosphate 4% human serum album...				ACS Med Chem Lett 7: 714-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00140 BindingDB Entry DOI: 10.7270/Q2251NP5
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50533163 (CHEMBL4528539) Show SMILES CCOc1ccc(cn1)-c1cnc(NC(=O)NC)cc1Oc1c(F)cccc1F Show InChI InChI=1S/C20H18F2N4O3/c1-3-28-18-8-7-12(10-25-18)13-11-24-17(26-20(27)23-2)9-16(13)29-19-14(21)5-4-6-15(19)22/h4-11H,3H2,1-2H3,(H2,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human recombinant glucokinase using 5 mM glucose monitored over 5 mins in presence of NAD+ by glucose 6-phosphate dehydrogenase coupled...				ACS Med Chem Lett 7: 714-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00140 BindingDB Entry DOI: 10.7270/Q2251NP5
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50533163 (CHEMBL4528539) Show SMILES CCOc1ccc(cn1)-c1cnc(NC(=O)NC)cc1Oc1c(F)cccc1F Show InChI InChI=1S/C20H18F2N4O3/c1-3-28-18-8-7-12(10-25-18)13-11-24-17(26-20(27)23-2)9-16(13)29-19-14(21)5-4-6-15(19)22/h4-11H,3H2,1-2H3,(H2,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human recombinant glucokinase using 5 mM glucose monitored over 5 mins in presence of NAD+ and glucose 6-phosphate 4% human serum album...				ACS Med Chem Lett 7: 714-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00140 BindingDB Entry DOI: 10.7270/Q2251NP5
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50533163 (CHEMBL4528539) Show SMILES CCOc1ccc(cn1)-c1cnc(NC(=O)NC)cc1Oc1c(F)cccc1F Show InChI InChI=1S/C20H18F2N4O3/c1-3-28-18-8-7-12(10-25-18)13-11-24-17(26-20(27)23-2)9-16(13)29-19-14(21)5-4-6-15(19)22/h4-11H,3H2,1-2H3,(H2,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human recombinant glucokinase using 5 mM glucose monitored over 5 mins in presence of NAD+ by glucose 6-phosphate dehydrogenase coupled...				ACS Med Chem Lett 7: 714-8 (2016) Article DOI: 10.1021/acsmedchemlett.6b00140 BindingDB Entry DOI: 10.7270/Q2251NP5
					More data for this Ligand-Target Pair