Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50239043'   

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))	BDBM50239043 (CHEMBL4067037) Show SMILES CCOC(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H24F3N3O4/c1-3-37-27(36)16-4-7-19(8-5-16)38-25-13-17-12-23(21-9-6-18(15-32-21)28(29,30)31)33-22(17)14-20(25)24-10-11-26(35)34(24)2/h4-9,12-15,24,33H,3,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl...				Bioorg Med Chem Lett 27: 2069-2073 (2017) Article DOI: 10.1016/j.bmcl.2016.10.085 BindingDB Entry DOI: 10.7270/Q2DZ0BM6
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50239043 (CHEMBL4067037) Show SMILES CCOC(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H24F3N3O4/c1-3-37-27(36)16-4-7-19(8-5-16)38-25-13-17-12-23(21-9-6-18(15-32-21)28(29,30)31)33-22(17)14-20(25)24-10-11-26(35)34(24)2/h4-9,12-15,24,33H,3,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple...				Bioorg Med Chem Lett 27: 2069-2073 (2017) Article DOI: 10.1016/j.bmcl.2016.10.085 BindingDB Entry DOI: 10.7270/Q2DZ0BM6
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50239043 (CHEMBL4067037) Show SMILES CCOC(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H24F3N3O4/c1-3-37-27(36)16-4-7-19(8-5-16)38-25-13-17-12-23(21-9-6-18(15-32-21)28(29,30)31)33-22(17)14-20(25)24-10-11-26(35)34(24)2/h4-9,12-15,24,33H,3,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	232	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Activation of glucokinase in primary rat hepatocytes assessed as increase in D-2-deoxyglucose-6-phosphate level in presence of D-2-deoxyglucose by HI...				Bioorg Med Chem Lett 27: 2069-2073 (2017) Article DOI: 10.1016/j.bmcl.2016.10.085 BindingDB Entry DOI: 10.7270/Q2DZ0BM6
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50239043 (CHEMBL4067037) Show SMILES CCOC(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C28H24F3N3O4/c1-3-37-27(36)16-4-7-19(8-5-16)38-25-13-17-12-23(21-9-6-18(15-32-21)28(29,30)31)33-22(17)14-20(25)24-10-11-26(35)34(24)2/h4-9,12-15,24,33H,3,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Activation of glucokinase in rat INS-1 cells assessed as increase in D-2-deoxyglucose-6-phosphate level in presence of D-2-deoxyglucose by HILIC LC-M...				Bioorg Med Chem Lett 27: 2069-2073 (2017) Article DOI: 10.1016/j.bmcl.2016.10.085 BindingDB Entry DOI: 10.7270/Q2DZ0BM6
					More data for this Ligand-Target Pair