Found 29 hits of Enzyme Inhibition Constant Data 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)) | BDBM50424354
(CHEMBL2315027)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccccc2OC)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C26H26N2O6/c1-17(16-32-2)34-22-13-18(8-9-19-6-4-5-7-23(19)33-3)12-21(14-22)25(29)28-24-11-10-20(15-27-24)26(30)31/h4-15,17H,16H2,1-3H3,(H,30,31)(H,27,28,29)/b9-8+/t17-/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 | 83 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424379
(CHEMBL2314795)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2cccc(c2)[N+]([O-])=O)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H24N4O5/c1-16(15-31-3)32-21-13-18(8-7-17-5-4-6-20(12-17)27(29)30)11-19(14-21)23(28)24-22-9-10-26(2)25-22/h4-14,16H,15H2,1-3H3,(H,24,25,28)/b8-7+/t16-/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 | 239 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424358
(CHEMBL2315023)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccc(F)cc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H22F2N2O5/c1-15(14-33-2)34-21-10-16(3-4-17-5-7-20(26)12-22(17)27)9-19(11-21)24(30)29-23-8-6-18(13-28-23)25(31)32/h3-13,15H,14H2,1-2H3,(H,31,32)(H,28,29,30)/b4-3+/t15-/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 | 95 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424364
(CHEMBL2314810)Show SMILES COC[C@H](C)Oc1cc(CCc2ccccc2OC)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C24H29N3O4/c1-17(16-29-3)31-21-14-18(9-10-19-7-5-6-8-22(19)30-4)13-20(15-21)24(28)25-23-11-12-27(2)26-23/h5-8,11-15,17H,9-10,16H2,1-4H3,(H,25,26,28)/t17-/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 | 135 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424366
(CHEMBL2314808)Show SMILES COC[C@H](C)Oc1cc(CCc2c(F)cccc2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H25F2N3O3/c1-15(14-30-3)31-18-12-16(7-8-19-20(24)5-4-6-21(19)25)11-17(13-18)23(29)26-22-9-10-28(2)27-22/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,26,27,29)/t15-/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 | 131 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424353
(CHEMBL2311574)Show SMILES COC[C@H](C)Oc1cc(CCc2c(F)cccc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H24F2N2O5/c1-15(14-33-2)34-19-11-16(6-8-20-21(26)4-3-5-22(20)27)10-18(12-19)24(30)29-23-9-7-17(13-28-23)25(31)32/h3-5,7,9-13,15H,6,8,14H2,1-2H3,(H,31,32)(H,28,29,30)/t15-/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 | 70 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424369
(CHEMBL2314805)Show SMILES COC[C@H](C)Oc1cc(CCc2ccccc2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H26FN3O3/c1-16(15-29-3)30-20-13-17(8-9-18-6-4-5-7-21(18)24)12-19(14-20)23(28)25-22-10-11-27(2)26-22/h4-7,10-14,16H,8-9,15H2,1-3H3,(H,25,26,28)/t16-/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 | 217 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424372
(CHEMBL2314802)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2cc(F)cc(F)c2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H22F3N3O3/c1-14(13-31-3)32-19-9-15(4-5-16-10-18(24)12-20(25)22(16)26)8-17(11-19)23(30)27-21-6-7-29(2)28-21/h4-12,14H,13H2,1-3H3,(H,27,28,30)/b5-4+/t14-/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 | 848 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424375
(CHEMBL2314799)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccc(F)cc2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H23F2N3O3/c1-15(14-30-3)31-20-11-16(4-5-17-6-7-19(24)13-21(17)25)10-18(12-20)23(29)26-22-8-9-28(2)27-22/h4-13,15H,14H2,1-3H3,(H,26,27,29)/b5-4+/t15-/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 | 109 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424377
(CHEMBL2314797)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccccc2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H24FN3O3/c1-16(15-29-3)30-20-13-17(8-9-18-6-4-5-7-21(18)24)12-19(14-20)23(28)25-22-10-11-27(2)26-22/h4-14,16H,15H2,1-3H3,(H,25,26,28)/b9-8+/t16-/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 | 80 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424380
(CHEMBL2314794)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccccc2[N+]([O-])=O)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H24N4O5/c1-16(15-31-3)32-20-13-17(8-9-18-6-4-5-7-21(18)27(29)30)12-19(14-20)23(28)24-22-10-11-26(2)25-22/h4-14,16H,15H2,1-3H3,(H,24,25,28)/b9-8+/t16-/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 | 283 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424365
(CHEMBL2314809)Show SMILES COC[C@H](C)Oc1cc(CCc2cc(F)cc(F)c2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H24F3N3O3/c1-14(13-31-3)32-19-9-15(4-5-16-10-18(24)12-20(25)22(16)26)8-17(11-19)23(30)27-21-6-7-29(2)28-21/h6-12,14H,4-5,13H2,1-3H3,(H,27,28,30)/t14-/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 | 855 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424376
(CHEMBL2314798)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccc(F)cc2)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H24FN3O3/c1-16(15-29-3)30-21-13-18(5-4-17-6-8-20(24)9-7-17)12-19(14-21)23(28)25-22-10-11-27(2)26-22/h4-14,16H,15H2,1-3H3,(H,25,26,28)/b5-4+/t16-/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 | 119 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424359
(CHEMBL2315022)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccc(F)cc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H23FN2O5/c1-16(15-32-2)33-22-12-18(4-3-17-5-8-21(26)9-6-17)11-20(13-22)24(29)28-23-10-7-19(14-27-23)25(30)31/h3-14,16H,15H2,1-2H3,(H,30,31)(H,27,28,29)/b4-3+/t16-/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 | 120 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424378
(CHEMBL2314796)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccc(cc2)[N+]([O-])=O)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H24N4O5/c1-16(15-31-3)32-21-13-18(5-4-17-6-8-20(9-7-17)27(29)30)12-19(14-21)23(28)24-22-10-11-26(2)25-22/h4-14,16H,15H2,1-3H3,(H,24,25,28)/b5-4+/t16-/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 | 852 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424353
(CHEMBL2311574)Show SMILES COC[C@H](C)Oc1cc(CCc2c(F)cccc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H24F2N2O5/c1-15(14-33-2)34-19-11-16(6-8-20-21(26)4-3-5-22(20)27)10-18(12-19)24(30)29-23-9-7-17(13-28-23)25(31)32/h3-5,7,9-13,15H,6,8,14H2,1-2H3,(H,31,32)(H,28,29,30)/t15-/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 | 85 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human hepatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424360
(CHEMBL2315021)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccccc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H23FN2O5/c1-16(15-32-2)33-21-12-17(7-8-18-5-3-4-6-22(18)26)11-20(13-21)24(29)28-23-10-9-19(14-27-23)25(30)31/h3-14,16H,15H2,1-2H3,(H,30,31)(H,27,28,29)/b8-7+/t16-/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 | 56 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424368
(CHEMBL2314806)Show SMILES COC[C@H](C)Oc1cc(CCc2ccc(F)cc2)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H26FN3O3/c1-16(15-29-3)30-21-13-18(5-4-17-6-8-20(24)9-7-17)12-19(14-21)23(28)25-22-10-11-27(2)26-22/h6-14,16H,4-5,15H2,1-3H3,(H,25,26,28)/t16-/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 | 216 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424371
(CHEMBL2314803)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccccc2OC)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C24H27N3O4/c1-17(16-29-3)31-21-14-18(9-10-19-7-5-6-8-22(19)30-4)13-20(15-21)24(28)25-23-11-12-27(2)26-23/h5-15,17H,16H2,1-4H3,(H,25,26,28)/b10-9+/t17-/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 | 115 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424361
(CHEMBL2315020)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccc(cc2)[N+]([O-])=O)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H23N3O7/c1-16(15-34-2)35-22-12-18(4-3-17-5-8-21(9-6-17)28(32)33)11-20(13-22)24(29)27-23-10-7-19(14-26-23)25(30)31/h3-14,16H,15H2,1-2H3,(H,30,31)(H,26,27,29)/b4-3+/t16-/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 | 284 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424362
(CHEMBL2314812)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2cccc(c2)[N+]([O-])=O)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H23N3O7/c1-16(15-34-2)35-22-12-18(7-6-17-4-3-5-21(11-17)28(32)33)10-20(13-22)24(29)27-23-9-8-19(14-26-23)25(30)31/h3-14,16H,15H2,1-2H3,(H,30,31)(H,26,27,29)/b7-6+/t16-/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 | 165 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424355
(CHEMBL2315026)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2cc(F)cc(F)c2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H21F3N2O5/c1-14(13-34-2)35-20-8-15(3-4-16-9-19(26)11-21(27)23(16)28)7-18(10-20)24(31)30-22-6-5-17(12-29-22)25(32)33/h3-12,14H,13H2,1-2H3,(H,32,33)(H,29,30,31)/b4-3+/t14-/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 | 778 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424370
(CHEMBL2314804)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2cccc(C)n2)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H26N4O3/c1-16-6-5-7-20(24-16)9-8-18-12-19(14-21(13-18)30-17(2)15-29-4)23(28)25-22-10-11-27(3)26-22/h5-14,17H,15H2,1-4H3,(H,25,26,28)/b9-8+/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 132 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424373
(CHEMBL2314801)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2c(F)cccc2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H23F2N3O3/c1-15(14-30-3)31-18-12-16(7-8-19-20(24)5-4-6-21(19)25)11-17(13-18)23(29)26-22-9-10-28(2)27-22/h4-13,15H,14H2,1-3H3,(H,26,27,29)/b8-7+/t15-/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 | 161 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424374
(CHEMBL2314800)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2cc(F)ccc2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H23F2N3O3/c1-15(14-30-3)31-20-11-16(4-5-17-12-19(24)6-7-21(17)25)10-18(13-20)23(29)26-22-8-9-28(2)27-22/h4-13,15H,14H2,1-3H3,(H,26,27,29)/b5-4+/t15-/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 | 200 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424356
(CHEMBL2315025)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2c(F)cccc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H22F2N2O5/c1-15(14-33-2)34-19-11-16(6-8-20-21(26)4-3-5-22(20)27)10-18(12-19)24(30)29-23-9-7-17(13-28-23)25(31)32/h3-13,15H,14H2,1-2H3,(H,31,32)(H,28,29,30)/b8-6+/t15-/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 | 90 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424363
(CHEMBL2314811)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2ccccc2[N+]([O-])=O)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H23N3O7/c1-16(15-34-2)35-21-12-17(7-8-18-5-3-4-6-22(18)28(32)33)11-20(13-21)24(29)27-23-10-9-19(14-26-23)25(30)31/h3-14,16H,15H2,1-2H3,(H,30,31)(H,26,27,29)/b8-7+/t16-/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 | 296 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424367
(CHEMBL2314807)Show SMILES COC[C@H](C)Oc1cc(CCc2ccc(F)cc2F)cc(c1)C(=O)Nc1ccn(C)n1 |r| Show InChI InChI=1S/C23H25F2N3O3/c1-15(14-30-3)31-20-11-16(4-5-17-6-7-19(24)13-21(17)25)10-18(12-20)23(29)26-22-8-9-28(2)27-22/h6-13,15H,4-5,14H2,1-3H3,(H,26,27,29)/t15-/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 | 184 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50424357
(CHEMBL2315024)Show SMILES COC[C@H](C)Oc1cc(\C=C\c2cc(F)ccc2F)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O |r| Show InChI InChI=1S/C25H22F2N2O5/c1-15(14-33-2)34-21-10-16(3-4-17-11-20(26)6-7-22(17)27)9-19(12-21)24(30)29-23-8-5-18(13-28-23)25(31)32/h3-13,15H,14H2,1-2H3,(H,31,32)(H,28,29,30)/b4-3+/t15-/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 | 134 | n/a | n/a | n/a | n/a |
Yuhan Research Institute
Curated by ChEMBL
| Assay Description
Induction of human pancreatic glucokinase activity at 5 mM glucose concentration |
Bioorg Med Chem Lett 23: 537-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.018
BindingDB Entry DOI: 10.7270/Q2154JCQ |
More data for this
Ligand-Target Pair | |
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