Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50030326 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)) | BDBM50294464
(3-(4-fluorophenylthio)-6-(4-methyl-4H-1,2,4-triazo...)Show SMILES Cc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1 Show InChI InChI=1S/C19H15FN6OS3/c1-11-9-28-18(22-11)24-17(27)16-14(29-13-5-3-12(20)4-6-13)7-8-15(23-16)30-19-25-21-10-26(19)2/h3-10H,1-2H3,(H,22,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294465
(2-(4-fluorophenylthio)-5-(4-methyl-4H-1,2,4-triazo...)Show SMILES Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1 Show InChI InChI=1S/C20H16FN5OS3/c1-12-10-28-19(23-12)24-18(27)16-9-15(30-20-25-22-11-26(20)2)7-8-17(16)29-14-5-3-13(21)4-6-14/h3-11H,1-2H3,(H,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 970 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294466
(3-(4-fluorophenylthio)-6-(4-methyl-4H-1,2,4-triazo...)Show SMILES Cn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(n1)C(=O)Nc1nccs1 Show InChI InChI=1S/C18H13FN6OS3/c1-25-10-21-24-18(25)29-14-7-6-13(28-12-4-2-11(19)3-5-12)15(22-14)16(26)23-17-20-8-9-27-17/h2-10H,1H3,(H,20,23,26) | 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 | 120 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294467
(6-(4H-1,2,4-triazol-3-ylthio)-3-(4-fluorophenylthi...)Show SMILES Fc1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C17H11FN6OS3/c18-10-1-3-11(4-2-10)27-12-5-6-13(28-17-20-9-21-24-17)22-14(12)15(25)23-16-19-7-8-26-16/h1-9H,(H,19,23,25)(H,20,21,24) | 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 | 76 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294468
(6-(4H-1,2,4-triazol-3-ylthio)-3-(2-fluorophenylthi...)Show SMILES Fc1ccccc1Sc1ccc(Sc2nnc[nH]2)nc1C(=O)Nc1nccs1 Show InChI InChI=1S/C17H11FN6OS3/c18-10-3-1-2-4-11(10)27-12-5-6-13(28-17-20-9-21-24-17)22-14(12)15(25)23-16-19-7-8-26-16/h1-9H,(H,19,23,25)(H,20,21,24) | 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 | 57 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294474
(6-(4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)-3-(...)Show SMILES Cc1cccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)c1 Show InChI InChI=1S/C18H14N6OS3/c1-11-3-2-4-12(9-11)27-13-5-6-14(28-18-20-10-21-24-18)22-15(13)16(25)23-17-19-7-8-26-17/h2-10H,1H3,(H,19,23,25)(H,20,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294470
(6-(4H-1,2,4-triazol-3-ylthio)-3-(phenylthio)-N-(th...)Show SMILES O=C(Nc1nccs1)c1nc(Sc2nnc[nH]2)ccc1Sc1ccccc1 Show InChI InChI=1S/C17H12N6OS3/c24-15(22-16-18-8-9-25-16)14-12(26-11-4-2-1-3-5-11)6-7-13(21-14)27-17-19-10-20-23-17/h1-10H,(H,18,22,24)(H,19,20,23) | 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 | 38 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294471
(6-(4H-1,2,4-triazol-3-ylthio)-3-(4-methoxyphenylth...)Show SMILES COc1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C18H14N6O2S3/c1-26-11-2-4-12(5-3-11)28-13-6-7-14(29-18-20-10-21-24-18)22-15(13)16(25)23-17-19-8-9-27-17/h2-10H,1H3,(H,19,23,25)(H,20,21,24) | 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 | 120 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294472
(6-(4H-1,2,4-triazol-3-ylthio)-N-(thiazol-2-yl)-3-(...)Show SMILES FC(F)(F)c1ccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)cc1 Show InChI InChI=1S/C18H11F3N6OS3/c19-18(20,21)10-1-3-11(4-2-10)30-12-5-6-13(31-17-23-9-24-27-17)25-14(12)15(28)26-16-22-7-8-29-16/h1-9H,(H,22,26,28)(H,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294473
(6-(4H-1,2,4-triazol-3-ylthio)-3-(3-methoxyphenylth...)Show SMILES COc1cccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)c1 Show InChI InChI=1S/C18H14N6O2S3/c1-26-11-3-2-4-12(9-11)28-13-5-6-14(29-18-20-10-21-24-18)22-15(13)16(25)23-17-19-7-8-27-17/h2-10H,1H3,(H,19,23,25)(H,20,21,24) | 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 | 160 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50294469
(6-(4H-1,2,4-triazol-3-ylthio)-3-(3-fluorophenylthi...)Show SMILES Fc1cccc(Sc2ccc(Sc3nnc[nH]3)nc2C(=O)Nc2nccs2)c1 Show InChI InChI=1S/C17H11FN6OS3/c18-10-2-1-3-11(8-10)27-12-4-5-13(28-17-20-9-21-24-17)22-14(12)15(25)23-16-19-6-7-26-16/h1-9H,(H,19,23,25)(H,20,21,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description
Activation of glucokinase |
Bioorg Med Chem Lett 19: 2718-21 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.137
BindingDB Entry DOI: 10.7270/Q24M94J9 |
More data for this
Ligand-Target Pair | |
Search and Browse
