Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50239040'   

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))	BDBM50239040 (CHEMBL4086771) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3	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	5.5	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))	BDBM50239040 (CHEMBL4086771) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3	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	5.5	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 (Rattus norvegicus)	BDBM50239040 (CHEMBL4086771) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3	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	21	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
Hexokinase-4 (Rattus norvegicus)	BDBM50239040 (CHEMBL4086771) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3	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	16	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)	BDBM50239040 (CHEMBL4086771) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3	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	16	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 (Homo sapiens (Human))	BDBM50239040 (CHEMBL4086771) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3	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	1	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 (Homo sapiens (Human))	BDBM50239040 (CHEMBL4086771) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3	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	1	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)	BDBM50239040 (CHEMBL4086771) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3	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	21	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