Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50049326 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50239040
(CHEMBL4086771)Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1 Show InChI InChI=1S/C23H22N4O4S2/c1-13-11-25-23(32-13)18-8-14-9-20(31-15-4-6-21(24-12-15)33(3,29)30)16(10-17(14)26-18)19-5-7-22(28)27(19)2/h4,6,8-12,19,26H,5,7H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Merck& Co., Inc.
Curated by ChEMBL
| Assay Description Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 2.5 mM glucose by G6PDH coupl... |
Bioorg Med Chem Lett 27: 2069-2073 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.085 BindingDB Entry DOI: 10.7270/Q2DZ0BM6 |
More data for this Ligand-Target Pair | |
Hexokinase-4
(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)) | 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 | |
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
(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) | 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) | 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
(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 | 2 | 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 | |