Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50030949   

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))	BDBM50304372 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCN(C)C2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H25N5O4S/c1-3-35(32,33)19-9-7-18(8-10-19)34-23-15-22-21(27-24(28-22)20-6-4-5-11-26-20)14-17(23)16-30-13-12-29(2)25(30)31/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,28)	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	320	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304387 (5-(4-(ethylsulfonyl)phenoxy)-6-((1-methyl-1H-tetra...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cc2nnnn2C)-c2ccccn2)cc1 Show InChI InChI=1S/C23H21N7O3S/c1-3-34(31,32)17-9-7-16(8-10-17)33-21-14-20-19(12-15(21)13-22-27-28-29-30(22)2)25-23(26-20)18-6-4-5-11-24-18/h4-12,14H,3,13H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304374 (6-[(1,1-Dioxidoisothiazolidin-2-yl)methyl]-5-[4-(e...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCCS2(=O)=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H24N4O5S2/c1-2-34(29,30)19-9-7-18(8-10-19)33-23-15-22-21(26-24(27-22)20-6-3-4-11-25-20)14-17(23)16-28-12-5-13-35(28,31)32/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304375 (4-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCOCC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H24N4O5S/c1-2-35(31,32)19-8-6-18(7-9-19)34-23-14-22-21(27-25(28-22)20-5-3-4-10-26-20)13-17(23)15-29-11-12-33-16-24(29)30/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304376 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2C(=O)CCC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H22N4O5S/c1-2-35(32,33)18-8-6-17(7-9-18)34-22-14-21-20(27-25(28-21)19-5-3-4-12-26-19)13-16(22)15-29-23(30)10-11-24(29)31/h3-9,12-14H,2,10-11,15H2,1H3,(H,27,28)	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	160	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304377 (3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2c(O)coc2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H20N4O6S/c1-2-35(31,32)17-8-6-16(7-9-17)34-21-12-20-19(26-23(27-20)18-5-3-4-10-25-18)11-15(21)13-28-22(29)14-33-24(28)30/h3-12,14,29H,2,13H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304378 (3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2c(O)cn(C)c2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H23N5O5S/c1-3-36(33,34)18-9-7-17(8-10-18)35-22-13-21-20(27-24(28-21)19-6-4-5-11-26-19)12-16(22)14-30-23(31)15-29(2)25(30)32/h4-13,15,31H,3,14H2,1-2H3,(H,27,28)	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	180	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304379 (5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-6-(p...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCCC2)-c2ccccn2)cc1 Show InChI InChI=1S/C25H26N4O3S/c1-2-33(30,31)20-10-8-19(9-11-20)32-24-16-23-22(15-18(24)17-29-13-5-6-14-29)27-25(28-23)21-7-3-4-12-26-21/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304380 (5-[4-(Ethylsulfonyl)phenoxy]-6-(1H-imidazol-1-ylme...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2ccnc2)-c2ccccn2)cc1 Show InChI InChI=1S/C24H21N5O3S/c1-2-33(30,31)19-8-6-18(7-9-19)32-23-14-22-21(13-17(23)15-29-12-11-25-16-29)27-24(28-22)20-5-3-4-10-26-20/h3-14,16H,2,15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304381 (CHEMBL606041 | N-ethyl-N-((5-(4-(ethylsulfonyl)phe...) Show SMILES CCN(Cc1cc2nc([nH]c2cc1Oc1ccc(cc1)S(=O)(=O)CC)-c1ccccn1)C(C)=O Show InChI InChI=1S/C25H26N4O4S/c1-4-29(17(3)30)16-18-14-22-23(28-25(27-22)21-8-6-7-13-26-21)15-24(18)33-19-9-11-20(12-10-19)34(31,32)5-2/h6-15H,4-5,16H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304382 (CHEMBL596480 | N-((5-(4-(ethylsulfonyl)phenoxy)-2-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN(C)C(C)=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H24N4O4S/c1-4-33(30,31)19-10-8-18(9-11-19)32-23-14-22-21(13-17(23)15-28(3)16(2)29)26-24(27-22)20-7-5-6-12-25-20/h5-14H,4,15H2,1-3H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304383 (CHEMBL606156 | N-((5-(4-(ethylsulfonyl)phenoxy)-2-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CNC(C)=O)-c2ccccn2)cc1 Show InChI InChI=1S/C23H22N4O4S/c1-3-32(29,30)18-9-7-17(8-10-18)31-22-13-21-20(12-16(22)14-25-15(2)28)26-23(27-21)19-6-4-5-11-24-19/h4-13H,3,14H2,1-2H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304384 (3-(5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CCC(=O)N(C)C)-c2ccccn2)cc1 Show InChI InChI=1S/C25H26N4O4S/c1-4-34(31,32)19-11-9-18(10-12-19)33-23-16-22-21(15-17(23)8-13-24(30)29(2)3)27-25(28-22)20-7-5-6-14-26-20/h5-7,9-12,14-16H,4,8,13H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304385 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCCC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H24N4O4S/c1-2-34(31,32)19-10-8-18(9-11-19)33-23-15-22-21(14-17(23)16-29-13-5-7-24(29)30)27-25(28-22)20-6-3-4-12-26-20/h3-4,6,8-12,14-15H,2,5,7,13,16H2,1H3,(H,27,28)	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	350	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304386 (3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCOC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H22N4O5S/c1-2-34(30,31)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-28-11-12-32-24(28)29)26-23(27-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,27)	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	250	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304387 (5-(4-(ethylsulfonyl)phenoxy)-6-((1-methyl-1H-tetra...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cc2nnnn2C)-c2ccccn2)cc1 Show InChI InChI=1S/C23H21N7O3S/c1-3-34(31,32)17-9-7-16(8-10-17)33-21-14-20-19(12-15(21)13-22-27-28-29-30(22)2)25-23(26-20)18-6-4-5-11-24-18/h4-12,14H,3,13H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304381 (CHEMBL606041 | N-ethyl-N-((5-(4-(ethylsulfonyl)phe...) Show SMILES CCN(Cc1cc2nc([nH]c2cc1Oc1ccc(cc1)S(=O)(=O)CC)-c1ccccn1)C(C)=O Show InChI InChI=1S/C25H26N4O4S/c1-4-29(17(3)30)16-18-14-22-23(28-25(27-22)21-8-6-7-13-26-21)15-24(18)33-19-9-11-20(12-10-19)34(31,32)5-2/h6-15H,4-5,16H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304382 (CHEMBL596480 | N-((5-(4-(ethylsulfonyl)phenoxy)-2-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN(C)C(C)=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H24N4O4S/c1-4-33(30,31)19-10-8-18(9-11-19)32-23-14-22-21(13-17(23)15-28(3)16(2)29)26-24(27-22)20-7-5-6-12-25-20/h5-14H,4,15H2,1-3H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304383 (CHEMBL606156 | N-((5-(4-(ethylsulfonyl)phenoxy)-2-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CNC(C)=O)-c2ccccn2)cc1 Show InChI InChI=1S/C23H22N4O4S/c1-3-32(29,30)18-9-7-17(8-10-18)31-22-13-21-20(12-16(22)14-25-15(2)28)26-23(27-21)19-6-4-5-11-24-19/h4-13H,3,14H2,1-2H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304384 (3-(5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CCC(=O)N(C)C)-c2ccccn2)cc1 Show InChI InChI=1S/C25H26N4O4S/c1-4-34(31,32)19-11-9-18(10-12-19)33-23-16-22-21(15-17(23)8-13-24(30)29(2)3)27-25(28-22)20-7-5-6-14-26-20/h5-7,9-12,14-16H,4,8,13H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304385 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCCC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H24N4O4S/c1-2-34(31,32)19-10-8-18(9-11-19)33-23-15-22-21(14-17(23)16-29-13-5-7-24(29)30)27-25(28-22)20-6-3-4-12-26-20/h3-4,6,8-12,14-15H,2,5,7,13,16H2,1H3,(H,27,28)	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	60	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304386 (3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCOC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H22N4O5S/c1-2-34(30,31)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-28-11-12-32-24(28)29)26-23(27-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,27)	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	60	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304372 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCN(C)C2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H25N5O4S/c1-3-35(32,33)19-9-7-18(8-10-19)34-23-15-22-21(27-24(28-22)20-6-4-5-11-26-20)14-17(23)16-30-13-12-29(2)25(30)31/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,27,28)	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	80	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304373 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCNC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H23N5O4S/c1-2-34(31,32)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-29-12-11-26-24(29)30)27-23(28-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,30)(H,27,28)	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	>5.00E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304374 (6-[(1,1-Dioxidoisothiazolidin-2-yl)methyl]-5-[4-(e...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCCS2(=O)=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H24N4O5S2/c1-2-34(29,30)19-9-7-18(8-10-19)33-23-15-22-21(26-24(27-22)20-6-3-4-11-25-20)14-17(23)16-28-12-5-13-35(28,31)32/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304375 (4-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCOCC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H24N4O5S/c1-2-35(31,32)19-8-6-18(7-9-19)34-23-14-22-21(27-25(28-22)20-5-3-4-10-26-20)13-17(23)15-29-11-12-33-16-24(29)30/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304376 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2C(=O)CCC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H22N4O5S/c1-2-35(32,33)18-8-6-17(7-9-18)34-22-14-21-20(27-25(28-21)19-5-3-4-12-26-19)13-16(22)15-29-23(30)10-11-24(29)31/h3-9,12-14H,2,10-11,15H2,1H3,(H,27,28)	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	40	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304377 (3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2c(O)coc2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H20N4O6S/c1-2-35(31,32)17-8-6-16(7-9-17)34-21-12-20-19(26-23(27-20)18-5-3-4-10-25-18)11-15(21)13-28-22(29)14-33-24(28)30/h3-12,14,29H,2,13H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304378 (3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2c(O)cn(C)c2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C25H23N5O5S/c1-3-36(33,34)18-9-7-17(8-10-18)35-22-13-21-20(27-24(28-21)19-6-4-5-11-26-19)12-16(22)14-30-23(31)15-29(2)25(30)32/h4-13,15,31H,3,14H2,1-2H3,(H,27,28)	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	60	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304379 (5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-6-(p...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCCC2)-c2ccccn2)cc1 Show InChI InChI=1S/C25H26N4O3S/c1-2-33(30,31)20-10-8-19(9-11-20)32-24-16-23-22(15-18(24)17-29-13-5-6-14-29)27-25(28-23)21-7-3-4-12-26-21/h3-4,7-12,15-16H,2,5-6,13-14,17H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304380 (5-[4-(Ethylsulfonyl)phenoxy]-6-(1H-imidazol-1-ylme...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2ccnc2)-c2ccccn2)cc1 Show InChI InChI=1S/C24H21N5O3S/c1-2-33(30,31)19-8-6-18(7-9-19)32-23-14-22-21(13-17(23)15-29-12-11-25-16-29)27-24(28-22)20-5-3-4-10-26-20/h3-14,16H,2,15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50304373 (1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...) Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2CN2CCNC2=O)-c2ccccn2)cc1 Show InChI InChI=1S/C24H23N5O4S/c1-2-34(31,32)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-29-12-11-26-24(29)30)27-23(28-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,30)(H,27,28)	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	>5.00E+3	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of human liver glucokinase expressed in CHO cells at 2.5 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotomet...				Bioorg Med Chem 17: 7042-51 (2009) Article DOI: 10.1016/j.bmc.2009.05.037 BindingDB Entry DOI: 10.7270/Q21836JG
					More data for this Ligand-Target Pair