Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50239046'   

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))	BDBM50239046 (CHEMBL4068048) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3	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	31	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)	BDBM50239046 (CHEMBL4068048) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3	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	3.90	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)	BDBM50239046 (CHEMBL4068048) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3	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	3.90	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)	BDBM50239046 (CHEMBL4068048) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3	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	5.20	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))	BDBM50239046 (CHEMBL4068048) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3	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	9.80	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 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))	BDBM50239046 (CHEMBL4068048) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3	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	9.80	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of cGMP PDE II enzyme				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))	BDBM50239046 (CHEMBL4068048) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3	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	31	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)	BDBM50239046 (CHEMBL4068048) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3	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	5.20	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