Compile Data Set for Download or QSAR

Found 66 hits of ec50 for UniProtKB: P17712   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hexokinase-4 (Rattus norvegicus)	BDBM50239048 (CHEMBL4067028) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3	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	0.900	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)	BDBM50239048 (CHEMBL4067028) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3	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	0.900	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)	BDBM50239049 (CHEMBL4086782) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H24F3N3O4S/c1-3-38(35,36)19-7-5-18(6-8-19)37-25-13-16-12-23(21-9-4-17(15-31-21)27(28,29)30)32-22(16)14-20(25)24-10-11-26(34)33(24)2/h4-9,12-15,24,32H,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	1.70	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)	BDBM50239045 (CHEMBL4083339) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O4S/c1-32-21(6-8-24(32)33)17-11-19-14(9-20(31-19)18-5-3-15(12-29-18)25(26,27)28)10-22(17)36-16-4-7-23(30-13-16)37(2,34)35/h3-5,7,9-13,21,31H,6,8H2,1-2H3	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	2.5	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)	BDBM50239045 (CHEMBL4083339) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O4S/c1-32-21(6-8-24(32)33)17-11-19-14(9-20(31-19)18-5-3-15(12-29-18)25(26,27)28)10-22(17)36-16-4-7-23(30-13-16)37(2,34)35/h3-5,7,9-13,21,31H,6,8H2,1-2H3	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	2.5	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)	BDBM50239045 (CHEMBL4083339) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O4S/c1-32-21(6-8-24(32)33)17-11-19-14(9-20(31-19)18-5-3-15(12-29-18)25(26,27)28)10-22(17)36-16-4-7-23(30-13-16)37(2,34)35/h3-5,7,9-13,21,31H,6,8H2,1-2H3	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	2.70	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)	BDBM50239045 (CHEMBL4083339) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C25H21F3N4O4S/c1-32-21(6-8-24(32)33)17-11-19-14(9-20(31-19)18-5-3-15(12-29-18)25(26,27)28)10-22(17)36-16-4-7-23(30-13-16)37(2,34)35/h3-5,7,9-13,21,31H,6,8H2,1-2H3	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	2.70	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)	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 (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 (Rattus norvegicus)	BDBM50239047 (CHEMBL4078915) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1 Show InChI InChI=1S/C23H21N5O4S/c1-28-20(4-6-23(28)29)16-11-17-14(9-18(27-17)19-13-24-7-8-25-19)10-21(16)32-15-3-5-22(26-12-15)33(2,30)31/h3,5,7-13,20,27H,4,6H2,1-2H3	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	7.20	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)	BDBM50239047 (CHEMBL4078915) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1 Show InChI InChI=1S/C23H21N5O4S/c1-28-20(4-6-23(28)29)16-11-17-14(9-18(27-17)19-13-24-7-8-25-19)10-21(16)32-15-3-5-22(26-12-15)33(2,30)31/h3,5,7-13,20,27H,4,6H2,1-2H3	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	7.20	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)	BDBM50239048 (CHEMBL4067028) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3	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	7.5	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)	BDBM50239048 (CHEMBL4067028) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1 Show InChI InChI=1S/C24H22N4O4S/c1-28-21(7-9-24(28)29)17-13-19-15(11-20(27-19)18-5-3-4-10-25-18)12-22(17)32-16-6-8-23(26-14-16)33(2,30)31/h3-6,8,10-14,21,27H,7,9H2,1-2H3	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	7.5	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)	BDBM50239044 (CHEMBL4104680) Show SMILES COC(=O)c1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C Show InChI InChI=1S/C26H24N4O6S/c1-30-22(7-9-25(30)31)18-12-20-16(10-21(29-20)19-6-4-15(13-27-19)26(32)35-2)11-23(18)36-17-5-8-24(28-14-17)37(3,33)34/h4-6,8,10-14,22,29H,7,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	7.80	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 (Rattus norvegicus)	BDBM50239044 (CHEMBL4104680) Show SMILES COC(=O)c1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C Show InChI InChI=1S/C26H24N4O6S/c1-30-22(7-9-25(30)31)18-12-20-16(10-21(29-20)19-6-4-15(13-27-19)26(32)35-2)11-23(18)36-17-5-8-24(28-14-17)37(3,33)34/h4-6,8,10-14,22,29H,7,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	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 (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	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)	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
Hexokinase-4 (Rattus norvegicus)	BDBM50239047 (CHEMBL4078915) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1 Show InChI InChI=1S/C23H21N5O4S/c1-28-20(4-6-23(28)29)16-11-17-14(9-18(27-17)19-13-24-7-8-25-19)10-21(16)32-15-3-5-22(26-12-15)33(2,30)31/h3,5,7-13,20,27H,4,6H2,1-2H3	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	23	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)	BDBM50239047 (CHEMBL4078915) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1 Show InChI InChI=1S/C23H21N5O4S/c1-28-20(4-6-23(28)29)16-11-17-14(9-18(27-17)19-13-24-7-8-25-19)10-21(16)32-15-3-5-22(26-12-15)33(2,30)31/h3,5,7-13,20,27H,4,6H2,1-2H3	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	23	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)	BDBM50321004 ((R)-2-(4-(Cyclopropylsulfonyl)phenyl)-N-(4-isoprop...) Show SMILES CC(C)c1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CC2)n1 |r| Show InChI InChI=1S/C23H30N2O4S2/c1-15(2)21-14-30-23(24-21)25-22(26)20(13-16-9-11-29-12-10-16)17-3-5-18(6-4-17)31(27,28)19-7-8-19/h3-6,14-16,19-20H,7-13H2,1-2H3,(H,24,25,26)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Induction of glucokinase-mediated 2-deoxy-D-[3H]glucose uptake in Sprague-Dawley rat hepatocytes after 4 hrs by liquid scintillation countingl				Bioorg Med Chem 18: 3875-84 (2010) Article DOI: 10.1016/j.bmc.2010.04.038 BindingDB Entry DOI: 10.7270/Q2H995CS
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50394682 (CHEMBL2165619) Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r| Show InChI InChI=1S/C18H21F3N4O/c1-12-6-7-16(22-9-12)24-17(26)14(8-13-4-2-3-5-13)25-10-15(23-11-25)18(19,20)21/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,22,24,26)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	153	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-induced insulin secretion				J Med Chem 55: 1318-33 (2012) Article DOI: 10.1021/jm2014887 BindingDB Entry DOI: 10.7270/Q2NG4RRT
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50239049 (CHEMBL4086782) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H24F3N3O4S/c1-3-38(35,36)19-7-5-18(6-8-19)37-25-13-16-12-23(21-9-4-17(15-31-21)27(28,29)30)32-22(16)14-20(25)24-10-11-26(34)33(24)2/h4-9,12-15,24,32H,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	174	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 (Rattus norvegicus)	BDBM50394681 (CHEMBL2165620) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r| Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...				J Med Chem 55: 1318-33 (2012) Article DOI: 10.1021/jm2014887 BindingDB Entry DOI: 10.7270/Q2NG4RRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	BDBM50161691 (CHEMBL180172 | N-{3-[3-(5-Chloro-thiazol-2-yl)-1-c...) Show SMILES CC(=O)Nc1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C18H21ClN4O2S/c1-12(24)21-14-7-4-8-15(9-14)23(11-13-5-2-3-6-13)18(25)22-17-20-10-16(19)26-17/h4,7-10,13H,2-3,5-6,11H2,1H3,(H,21,24)(H,20,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50401849 (CHEMBL2204663) Show SMILES CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(cc2n1)C(=O)Nc1cnc(C)cn1 Show InChI InChI=1S/C24H22FN7O3/c1-3-32-13-17-19(30-32)7-15(23(33)29-21-12-26-14(2)10-27-21)8-20(17)35-16-9-18(25)22(28-11-16)24(34)31-5-4-6-31/h7-13H,3-6H2,1-2H3,(H,27,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant rat glucokinase assessed measuring rate of glucose 6-phosphate formation using G6PDH/NADP coupling				Bioorg Med Chem Lett 22: 7100-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.082 BindingDB Entry DOI: 10.7270/Q2GM88H7
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161692 (1-(3-Chloro-4-methyl-phenyl)-3-(5-chloro-thiazol-2...) Show SMILES Cc1ccc(cc1Cl)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H19Cl2N3OS/c1-11-6-7-13(8-14(11)18)22(10-12-4-2-3-5-12)17(23)21-16-20-9-15(19)24-16/h6-9,12H,2-5,10H2,1H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161695 (1-(4-Bromo-3-fluoro-phenyl)-3-(5-chloro-thiazol-2-...) Show SMILES Fc1cc(ccc1Br)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H16BrClFN3OS/c17-12-6-5-11(7-13(12)19)22(9-10-3-1-2-4-10)16(23)21-15-20-8-14(18)24-15/h5-8,10H,1-4,9H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50239042 (CHEMBL4094511) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(cc1)C(O)=O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C26H20F3N3O4/c1-32-22(8-9-24(32)33)18-12-20-15(11-23(18)36-17-5-2-14(3-6-17)25(34)35)10-21(31-20)19-7-4-16(13-30-19)26(27,28)29/h2-7,10-13,22,31H,8-9H2,1H3,(H,34,35)	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	728	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)	BDBM50394684 (CHEMBL2165615) Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1 Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...				J Med Chem 55: 1318-33 (2012) Article DOI: 10.1021/jm2014887 BindingDB Entry DOI: 10.7270/Q2NG4RRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Rattus norvegicus)	BDBM50161674 (3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiaz...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 15 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Rattus norvegicus)	BDBM50161670 (3-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...) Show SMILES NC(=O)c1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H19ClN4O2S/c18-14-9-20-16(25-14)21-17(24)22(10-11-4-1-2-5-11)13-7-3-6-12(8-13)15(19)23/h3,6-9,11H,1-2,4-5,10H2,(H2,19,23)(H,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161686 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4...) Show SMILES FC(F)(F)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H17ClF3N3OS/c18-14-9-22-15(26-14)23-16(25)24(10-11-3-1-2-4-11)13-7-5-12(6-8-13)17(19,20)21/h5-9,11H,1-4,10H2,(H,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161682 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(3...) Show SMILES COc1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H20ClN3O2S/c1-23-14-8-4-7-13(9-14)21(11-12-5-2-3-6-12)17(22)20-16-19-10-15(18)24-16/h4,7-10,12H,2-3,5-6,11H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161687 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H20ClN3O3S2/c1-26(23,24)14-8-6-13(7-9-14)21(11-12-4-2-3-5-12)17(22)20-16-19-10-15(18)25-16/h6-10,12H,2-5,11H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161677 (4-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...) Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H19ClN4O3S2/c17-14-9-19-15(25-14)20-16(22)21(10-11-3-1-2-4-11)12-5-7-13(8-6-12)26(18,23)24/h5-9,11H,1-4,10H2,(H2,18,23,24)(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161672 (3-(5-Bromo-thiazol-2-yl)-1-cyclopentylmethyl-1-(6-...) Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C16H19BrN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50239042 (CHEMBL4094511) Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(cc1)C(O)=O)-c1ccc(cn1)C(F)(F)F Show InChI InChI=1S/C26H20F3N3O4/c1-32-22(8-9-24(32)33)18-12-20-15(11-23(18)36-17-5-2-14(3-6-17)25(34)35)10-21(31-20)19-7-4-16(13-30-19)26(27,28)29/h2-7,10-13,22,31H,8-9H2,1H3,(H,34,35)	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	2.11E+3	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)	BDBM50161674 (3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiaz...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCCC1)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Rattus norvegicus)	BDBM50161679 (3-(5-Chloro-thiazol-2-yl)-1-(4-cyano-phenyl)-1-cyc...) Show SMILES Clc1cnc(NC(=O)N(CC2CCCC2)c2ccc(cc2)C#N)s1 Show InChI InChI=1S/C17H17ClN4OS/c18-15-10-20-16(24-15)21-17(23)22(11-13-3-1-2-4-13)14-7-5-12(9-19)6-8-14/h5-8,10,13H,1-4,11H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161690 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(3...) Show SMILES Fc1ccc(cc1F)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H16ClF2N3OS/c17-14-8-20-15(24-14)21-16(23)22(9-10-3-1-2-4-10)11-5-6-12(18)13(19)7-11/h5-8,10H,1-4,9H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161678 (3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(6...) Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H19ClN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161683 (3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCOCC1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C17H20ClN3O4S2/c1-27(23,24)14-4-2-13(3-5-14)21(11-12-6-8-25-9-7-12)17(22)20-16-19-10-15(18)26-16/h2-5,10,12H,6-9,11H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161694 (3-(5-Bromo-thiazol-2-yl)-1-(4-methanesulfonyl-phen...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1ccsc1)C(=O)Nc1ncc(Br)s1 Show InChI InChI=1S/C16H14BrN3O3S3/c1-26(22,23)13-4-2-12(3-5-13)20(9-11-6-7-24-10-11)16(21)19-15-18-8-14(17)25-15/h2-8,10H,9H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair
Hexokinase-4 (Rattus norvegicus)	BDBM50161688 (3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...) Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1cccs1)C(=O)Nc1ncc(Cl)s1 Show InChI InChI=1S/C16H14ClN3O3S3/c1-26(22,23)13-6-4-11(5-7-13)20(10-12-3-2-8-24-12)16(21)19-15-18-9-14(17)25-15/h2-9H,10H2,1H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
OSI Pharmaceuticals Curated by ChEMBL					Assay Description Effective concentration for glucokinase activation with 5 mM glucose				Bioorg Med Chem Lett 15: 1501-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.083 BindingDB Entry DOI: 10.7270/Q2HT2NVC
					More data for this Ligand-Target Pair

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