Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'farrer' and Initial = 'bt'   

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))	BDBM50239050 (CHEMBL4079100) Show SMILES Cc1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2ncns2)cn1 Show InChI InChI=1S/C16H12N8OS3/c1-9-2-3-10(6-17-9)26-11-4-5-12(27-16-18-7-20-24-16)22-13(11)14(25)23-15-19-8-21-28-15/h2-8H,1H3,(H,18,20,24)(H,19,21,23,25)	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	28	n/a	n/a	n/a	n/a
Discovery, Preclinical and Early Development, Merck& Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com. 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: 2063-2068 (2017) Article DOI: 10.1016/j.bmcl.2016.10.088 BindingDB Entry DOI: 10.7270/Q2F191V1
					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 (Homo sapiens (Human))	BDBM260387 (US9527838, 15) Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(CCC(O)=O)s2)cc1 Show InChI InChI=1S/C24H20N4O4S3/c1-32-15-5-7-16(8-6-15)33-18-10-11-20(35-19-4-2-3-13-25-19)27-22(18)23(31)28-24-26-14-17(34-24)9-12-21(29)30/h2-8,10-11,13-14H,9,12H2,1H3,(H,29,30)(H,26,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
Discovery, Preclinical and Early Development, Merck& Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com. 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: 2063-2068 (2017) Article DOI: 10.1016/j.bmcl.2016.10.088 BindingDB Entry DOI: 10.7270/Q2F191V1
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM260389 (US9527838, 17) Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2nc(CC(O)=O)cs2)cc1 Show InChI InChI=1S/C23H18N4O4S3/c1-31-15-5-7-16(8-6-15)33-17-9-10-19(34-18-4-2-3-11-24-18)26-21(17)22(30)27-23-25-14(13-32-23)12-20(28)29/h2-11,13H,12H2,1H3,(H,28,29)(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
Discovery, Preclinical and Early Development, Merck& Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com. 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: 2063-2068 (2017) Article DOI: 10.1016/j.bmcl.2016.10.088 BindingDB Entry DOI: 10.7270/Q2F191V1
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM260385 (US9527838, 13) Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2nc(CC(O)=O)c(Cl)s2)cc1 Show InChI InChI=1S/C23H17ClN4O4S3/c1-32-13-5-7-14(8-6-13)33-16-9-10-18(34-17-4-2-3-11-25-17)27-20(16)22(31)28-23-26-15(12-19(29)30)21(24)35-23/h2-11H,12H2,1H3,(H,29,30)(H,26,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a
Discovery, Preclinical and Early Development, Merck& Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com. Curated by ChEMBL					Assay Description Inhibition of cAMP PDE II enzyme				Bioorg Med Chem Lett 27: 2063-2068 (2017) Article DOI: 10.1016/j.bmcl.2016.10.088 BindingDB Entry DOI: 10.7270/Q2F191V1
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM260383 (US9527838, 11) Show SMILES COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(SCC(O)=O)s2)cc1 Show InChI InChI=1S/C23H18N4O4S4/c1-31-14-5-7-15(8-6-14)33-16-9-10-18(34-17-4-2-3-11-24-17)26-21(16)22(30)27-23-25-12-20(35-23)32-13-19(28)29/h2-12H,13H2,1H3,(H,28,29)(H,25,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Discovery, Preclinical and Early Development, Merck& Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com. 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: 2063-2068 (2017) Article DOI: 10.1016/j.bmcl.2016.10.088 BindingDB Entry DOI: 10.7270/Q2F191V1
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM260404 (US9527838, 32) Show SMILES OC(=O)Cc1nc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)sc1Cl Show InChI InChI=1S/C22H14ClFN4O3S3/c23-20-14(11-18(29)30)26-22(34-20)28-21(31)19-15(32-13-6-4-12(24)5-7-13)8-9-17(27-19)33-16-3-1-2-10-25-16/h1-10H,11H2,(H,29,30)(H,26,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.60	n/a	n/a	n/a	n/a
Discovery, Preclinical and Early Development, Merck& Co., Inc., 2015 Galloping Hill Rd, Kenilworth, NJ 07033, USA. Electronic address: Jiayi_xu@merck.com. 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: 2063-2068 (2017) Article DOI: 10.1016/j.bmcl.2016.10.088 BindingDB Entry DOI: 10.7270/Q2F191V1
					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 (Homo sapiens (Human))	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 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	24	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Ability to displace [3H]spiperone binding from anterior pituitary Dopamine receptor D2 in the presence of 100 uM GTP				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	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))	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 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	8.20	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 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))	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 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	86	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))	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 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	86	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))	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 (Homo sapiens (Human))	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 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	48	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 (Homo sapiens (Human))	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 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	4.20	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 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))	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 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	4.20	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 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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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)	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 (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 (Homo sapiens (Human))	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 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	1.40	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of cAMP 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))	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 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	3.40	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))	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 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	<0.850	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 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))	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 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	18	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 (Homo sapiens (Human))	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 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	0.800	n/a	n/a	n/a	n/a
Merck& Co., Inc. Curated by ChEMBL					Assay Description Inhibition of cAMP 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))	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 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	0.800	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))	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 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 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

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