Found 1292 hits of ec50 for UniProtKB: P35557 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Hexokinase-4
(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 | <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)) | 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)) | 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)) | 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)) | BDBM249124
(US9453038, 1)Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(CCC(=O)OC)cn2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
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)) | BDBM249145
(US9453038, 23)Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2cnccn2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
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)) | BDBM249137
(US9453038, 15)Show SMILES COC(=O)CCc1ccc(nc1)-c1cc2cc(Oc3ccc(cc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
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
(Homo sapiens (Human)) | BDBM249148
(US9453038, 26)Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccccn2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
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)) | BDBM50008283
(CHEMBL3235148)Show SMILES CCNC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)cc(c2)-c2ncccc2C)n1 Show InChI InChI=1S/C27H26N4O5S2/c1-4-28-24(32)15-20-16-37-27(30-20)31-26(33)19-12-18(25-17(2)6-5-11-29-25)13-22(14-19)36-21-7-9-23(10-8-21)38(3,34)35/h5-14,16H,4,15H2,1-3H3,(H,28,32)(H,30,31,33) | 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 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry |
Bioorg Med Chem 22: 2280-93 (2014)
Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X |
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)) | 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)) | 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)) | BDBM50089108
(CHEMBL3577727)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN(C)C)c1 |r| Show InChI InChI=1S/C27H33N5O3/c1-20(19-34-5)35-25-17-22(15-23(18-25)27(33)29-26-11-13-32(4)30-26)10-9-21-7-6-8-24(16-21)28-12-14-31(2)3/h6-8,11,13,15-18,20,28H,12,14,19H2,1-5H3,(H,29,30,33)/t20-/m0/s1 | 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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089139
(CHEMBL3577715)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCOC1CCCCO1 |r| Show InChI InChI=1S/C23H29N3O5/c1-17(16-28-3)31-20-14-18(7-6-12-30-22-8-4-5-11-29-22)13-19(15-20)23(27)24-21-9-10-26(2)25-21/h9-10,13-15,17,22H,4-5,8,11-12,16H2,1-3H3,(H,24,25,27)/t17-,22?/m0/s1 | 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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089134
(CHEMBL3577728)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCC2)c1 |r| Show InChI InChI=1S/C29H35N5O3/c1-22(21-36-3)37-27-19-24(17-25(20-27)29(35)31-28-11-15-33(2)32-28)10-9-23-7-6-8-26(18-23)30-12-16-34-13-4-5-14-34/h6-8,11,15,17-20,22,30H,4-5,12-14,16,21H2,1-3H3,(H,31,32,35)/t22-/m0/s1 | 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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089135
(CHEMBL3577729)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCCC2)c1 |r| Show InChI InChI=1S/C30H37N5O3/c1-23(22-37-3)38-28-20-25(18-26(21-28)30(36)32-29-12-16-34(2)33-29)11-10-24-8-7-9-27(19-24)31-13-17-35-14-5-4-6-15-35/h7-9,12,16,18-21,23,31H,4-6,13-15,17,22H2,1-3H3,(H,32,33,36)/t23-/m0/s1 | 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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089180
(CHEMBL3577735)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCCC2)c1 |r| Show InChI InChI=1S/C29H34N4O4/c1-22(21-35-3)37-27-19-24(17-25(20-27)29(34)30-28-11-14-32(2)31-28)10-9-23-7-6-8-26(18-23)36-16-15-33-12-4-5-13-33/h6-8,11,14,17-20,22H,4-5,12-13,15-16,21H2,1-3H3,(H,30,31,34)/t22-/m0/s1 | 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 | 6 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089181
(CHEMBL3577736)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCCCC2)c1 |r| Show InChI InChI=1S/C30H36N4O4/c1-23(22-36-3)38-28-20-25(18-26(21-28)30(35)31-29-12-15-33(2)32-29)11-10-24-8-7-9-27(19-24)37-17-16-34-13-5-4-6-14-34/h7-9,12,15,18-21,23H,4-6,13-14,16-17,22H2,1-3H3,(H,31,32,35)/t23-/m0/s1 | 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 | 7 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50008306
(CHEMBL3235155)Show SMILES COCC(C)NCc1csc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)cc(c2)-c2ncccc2C)n1 Show InChI InChI=1S/C28H30N4O5S2/c1-18-6-5-11-29-26(18)20-12-21(14-24(13-20)37-23-7-9-25(10-8-23)39(4,34)35)27(33)32-28-31-22(17-38-28)15-30-19(2)16-36-3/h5-14,17,19,30H,15-16H2,1-4H3,(H,31,32,33) | 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 | 8 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry |
Bioorg Med Chem 22: 2280-93 (2014)
Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X |
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)) | BDBM249157
(US9453038, 35)Show SMILES COC(=O)CCc1cnc(s1)-c1cc2cc(Oc3ccc(cc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 8.90 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089177
(CHEMBL3577732)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCn2ccnc2C)c1 |r| Show InChI InChI=1S/C29H32N6O3/c1-21(20-37-4)38-27-18-24(16-25(19-27)29(36)32-28-10-13-34(3)33-28)9-8-23-6-5-7-26(17-23)31-12-15-35-14-11-30-22(35)2/h5-7,10-11,13-14,16-19,21,31H,12,15,20H2,1-4H3,(H,32,33,36)/t21-/m0/s1 | 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 | 9 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
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)) | BDBM50540184
(CHEMBL4643627)Show SMILES CC(=O)N1CCC(CC1)c1nsc(Nc2ncc(Sc3ccccn3)cc2Oc2cccc3ncccc23)n1 Show InChI InChI=1S/C28H25N7O2S2/c1-18(36)35-14-10-19(11-15-35)26-32-28(39-34-26)33-27-24(16-20(17-31-27)38-25-9-2-3-12-30-25)37-23-8-4-7-22-21(23)6-5-13-29-22/h2-9,12-13,16-17,19H,10-11,14-15H2,1H3,(H,31,32,33,34) | 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 | 9.30 | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115232
BindingDB Entry DOI: 10.7270/Q2XW4PB7 |
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)) | 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 | 9.60 | n/a | n/a | n/a | n/a |
Merck& Co., Inc.
Curated by ChEMBL
| Assay Description
Activation of recombinant human glucokinase assessed as conversion of D-glucose to D-glucose-6-phosphate in presence of 10 mM glucose by G6PDH couple... |
Bioorg Med Chem Lett 27: 2069-2073 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50239046
(CHEMBL4068048)Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a |
Merck& Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cGMP PDE II enzyme |
Bioorg Med Chem Lett 27: 2069-2073 (2017)
Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50239046
(CHEMBL4068048)Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O Show InChI InChI=1S/C27H28N4O5S/c1-27(2,33)17-5-7-20(28-14-17)22-11-16-12-24(36-18-6-9-25(29-15-18)37(4,34)35)19(13-21(16)30-22)23-8-10-26(32)31(23)3/h5-7,9,11-15,23,30,33H,8,10H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 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)) | BDBM50300593
(3-methyl-2-(4-(1-methyl-1H-pyrazol-3-ylamino)quina...)Show InChI InChI=1S/C20H16N6O/c1-13-4-3-5-14(11-21)19(13)27-15-6-7-17-16(10-15)20(23-12-22-17)24-18-8-9-26(2)25-18/h3-10,12H,1-2H3,(H,22,23,24,25) | 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 | 10 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase... |
Bioorg Med Chem Lett 19: 5531-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.064
BindingDB Entry DOI: 10.7270/Q2QR4X63 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM249127
(US9453038, 4)Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 11.4 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50145874
(CHEMBL3764079)Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(=C\C1CCCC1)\c1cc2cccnc2[nH]1 Show InChI InChI=1S/C21H21ClN2O2S/c1-27(25,26)20-9-8-15(12-18(20)22)17(11-14-5-2-3-6-14)19-13-16-7-4-10-23-21(16)24-19/h4,7-14H,2-3,5-6H2,1H3,(H,23,24)/b17-11- | 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 | 12 | n/a | n/a | n/a | n/a |
Servier Research Institute of Medicinal Chemistry
Curated by ChEMBL
| Assay Description
Activation of recombinant human glucokinase assessed as NADPH formation using glucose as substrate incubated for 30 mins in presence of NADP+ and glu... |
J Med Chem 59: 687-706 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01594
BindingDB Entry DOI: 10.7270/Q2CF9S0F |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089173
(CHEMBL3577720)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccc2[nH]ccc2c1 |r| | 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 | 12 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM249134
(US9453038, 10)Show SMILES COC(=O)CCc1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)C(=O)N3CCC3)c(cc2[nH]1)C1CCCN1C(C)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 13.9 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50533163
(CHEMBL4528539)Show SMILES CCOc1ccc(cn1)-c1cnc(NC(=O)NC)cc1Oc1c(F)cccc1F Show InChI InChI=1S/C20H18F2N4O3/c1-3-28-18-8-7-12(10-25-18)13-11-24-17(26-20(27)23-2)9-16(13)29-19-14(21)5-4-6-15(19)22/h4-11H,3H2,1-2H3,(H2,23,24,26,27) | 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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant glucokinase using 5 mM glucose monitored over 5 mins in presence of NAD+ by glucose 6-phosphate dehydrogenase coupled... |
ACS Med Chem Lett 7: 714-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00140
BindingDB Entry DOI: 10.7270/Q2251NP5 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50533163
(CHEMBL4528539)Show SMILES CCOc1ccc(cn1)-c1cnc(NC(=O)NC)cc1Oc1c(F)cccc1F Show InChI InChI=1S/C20H18F2N4O3/c1-3-28-18-8-7-12(10-25-18)13-11-24-17(26-20(27)23-2)9-16(13)29-19-14(21)5-4-6-15(19)22/h4-11H,3H2,1-2H3,(H2,23,24,26,27) | 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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant glucokinase using 5 mM glucose monitored over 5 mins in presence of NAD+ by glucose 6-phosphate dehydrogenase coupled... |
ACS Med Chem Lett 7: 714-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00140
BindingDB Entry DOI: 10.7270/Q2251NP5 |
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)) | BDBM50041606
(CHEMBL3358432)Show InChI InChI=1S/C21H28N4O2/c1-3-17-18(10-7-11-23-17)27-19-13-16(12-15-8-5-4-6-9-15)14-24-20(19)25-21(26)22-2/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H2,22,24,25,26) | 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 | 14 | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose |
ACS Med Chem Lett 5: 1284-9 (2014)
Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM249146
(US9453038, 24)Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CCC(O)=O)cc1)-c1ccccn1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 15.1 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50089218
(CHEMBL3577737)Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C29H34N4O5/c1-22(21-35-3)38-27-19-24(17-25(20-27)29(34)30-28-9-10-32(2)31-28)8-7-23-5-4-6-26(18-23)37-16-13-33-11-14-36-15-12-33/h4-6,9-10,17-20,22H,11-16,21H2,1-3H3,(H,30,31,34)/t22-/m0/s1 | 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 | 16 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay |
ACS Med Chem Lett 6: 296-301 (2015)
Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM249146
(US9453038, 24)Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CCC(O)=O)cc1)-c1ccccn1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 17.1 | n/a | n/a | n/a | 30 |
Merck Sharp & Dohme Corp.
US Patent
| Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E.... |
US Patent US9453038 (2016)
BindingDB Entry DOI: 10.7270/Q23X85KK |
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)) | 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)) | BDBM50540190
(CHEMBL4648642)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1nsc(Nc2ncc(Sc3ccccn3)cc2Oc2ccccc2)n1 Show InChI InChI=1S/C27H29N7O2S2/c1-33(2)18-24(35)34-14-11-19(12-15-34)25-30-27(38-32-25)31-26-22(36-20-8-4-3-5-9-20)16-21(17-29-26)37-23-10-6-7-13-28-23/h3-10,13,16-17,19H,11-12,14-15,18H2,1-2H3,(H,29,30,31,32) | 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 | 20 | n/a | n/a | n/a | n/a |
Array BioPharma Inc.
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115232
BindingDB Entry DOI: 10.7270/Q2XW4PB7 |
More data for this
Ligand-Target Pair | |
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