BindingDB logo
myBDB logout

PubMed code 19427223

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Hexokinase-4


(Homo sapiens (Human))		BDBM50257007
PNG
(3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-(4-me...)
Show SMILES CC(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-17-9-15(20(24)23-21-22-14(3)12-29-21)10-18(11-17)28-16-5-7-19(8-6-16)30(4,25)26/h5-13H,1-4H3,(H,22,23,24)
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/an/an/an/a 130n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50248487
PNG
(2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...)
Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C13H12N6OS2/c1-19-7-16-18-13(19)22-8-2-3-10(14)9(6-8)11(20)17-12-15-4-5-21-12/h2-7H,14H2,1H3,(H,15,17,20)
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/an/an/an/a 420n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294854
PNG
(3-[(1R)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulf...)
Show SMILES C[C@H](CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50248487
PNG
(2-amino-5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-N-(...)
Show SMILES Cn1cnnc1Sc1ccc(N)c(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C13H12N6OS2/c1-19-7-16-18-13(19)22-8-2-3-10(14)9(6-8)11(20)17-12-15-4-5-21-12/h2-7H,14H2,1H3,(H,15,17,20)
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/an/an/an/a 140n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294852
PNG
(3-((1R,2S)-2-hydroxycyclopentyloxy)-5-(4-(methylsu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCC[C@@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20+/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/an/an/an/a 1.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294865
PNG
((+/-)-3-[2-(Dimethylamino)-1-methylethoxy]-5-[4-(m...)
Show SMILES CC(CN(C)C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H25N3O5S2/c1-15(14-25(2)3)29-18-11-16(21(26)24-22-23-9-10-31-22)12-19(13-18)30-17-5-7-20(8-6-17)32(4,27)28/h5-13,15H,14H2,1-4H3,(H,23,24,26)
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/an/an/an/a 2.60E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294874
PNG
((+/-)-3-(2-Methoxy-1-methylethoxy)-5-[4-(methylsul...)
Show SMILES COCC(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H22N2O6S2/c1-14(13-27-2)28-17-10-15(20(24)23-21-22-8-9-30-21)11-18(12-17)29-16-4-6-19(7-5-16)31(3,25)26/h4-12,14H,13H2,1-3H3,(H,22,23,24)
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/an/an/an/a 70n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50414394
PNG
(CHEMBL2021551)
Show SMILES CC[C@H](COC)Oc1cc(Oc2ccc(cc2)S(=O)(=O)OC)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H24N2O7S2/c1-4-16(14-28-2)30-18-11-15(21(25)24-22-23-9-10-32-22)12-19(13-18)31-17-5-7-20(8-6-17)33(26,27)29-3/h5-13,16H,4,14H2,1-3H3,(H,23,24,25)/t16-/m1/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/an/an/an/a 1.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294850
PNG
(3-((1R,2R)-2-hydroxycyclopentyloxy)-5-(4-(methylsu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCC[C@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20-/m1/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/an/an/an/a 3.70E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294863
PNG
((+/-)-3-[(1-Methylpyrrolidin-3-yl)oxy]-5-[4-(methy...)
Show SMILES CN1CCC(C1)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H23N3O5S2/c1-25-9-7-17(14-25)30-19-12-15(21(26)24-22-23-8-10-31-22)11-18(13-19)29-16-3-5-20(6-4-16)32(2,27)28/h3-6,8,10-13,17H,7,9,14H2,1-2H3,(H,23,24,26)
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/an/an/an/a 2.40E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294851
PNG
((+/-)-3-{[(trans)-2-Hydroxycyclopentyl]oxy}-5-[4-(...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20-/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/an/an/an/a 160n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294854
PNG
(3-[(1R)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulf...)
Show SMILES C[C@H](CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294858
PNG
(3-[4-(Methylsulfonyl)phenoxy]-5-[(3R)-tetrahydrofu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCOC3)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24)/t16-/m1/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/an/an/an/a 430n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294850
PNG
(3-((1R,2R)-2-hydroxycyclopentyloxy)-5-(4-(methylsu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCC[C@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20-/m1/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/an/an/an/a 1.60E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294869
PNG
((+/-)-3-(3-Hydroxy-1-methylpropoxy)-5-[4-(methylsu...)
Show SMILES CC(CCO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H22N2O6S2/c1-14(7-9-24)28-17-11-15(20(25)23-21-22-8-10-30-21)12-18(13-17)29-16-3-5-19(6-4-16)31(2,26)27/h3-6,8,10-14,24H,7,9H2,1-2H3,(H,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 60n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294870
PNG
((+/-)-3-(3-Hydroxy-2-methylpropyl)-5-[4-(methylsul...)
Show SMILES CC(CO)Cc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H22N2O5S2/c1-14(13-24)9-15-10-16(20(25)23-21-22-7-8-29-21)12-18(11-15)28-17-3-5-19(6-4-17)30(2,26)27/h3-8,10-12,14,24H,9,13H2,1-2H3,(H,22,23,25)
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/an/an/an/a 250n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294851
PNG
((+/-)-3-{[(trans)-2-Hydroxycyclopentyl]oxy}-5-[4-(...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20-/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/an/an/an/a 90n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294853
PNG
((+/-)-3-{[(cis)-2-Hydroxycyclopentyl]oxy}-5-[4-(me...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20+/m1/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/an/an/an/a 120n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294875
PNG
(3-(Cyclopentyloxy)-5-[4-(methylsulfonyl)phenoxy]-N...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C22H22N2O5S2/c1-31(26,27)20-8-6-17(7-9-20)29-19-13-15(21(25)24-22-23-10-11-30-22)12-18(14-19)28-16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,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/an/an/an/a 240n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294876
PNG
(3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-1,3-t...)
Show SMILES CC(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2O5S2/c1-13(2)26-16-10-14(19(23)22-20-21-8-9-28-20)11-17(12-16)27-15-4-6-18(7-5-15)29(3,24)25/h4-13H,1-3H3,(H,21,22,23)
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/an/an/an/a 60n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294851
PNG
((+/-)-3-{[(trans)-2-Hydroxycyclopentyl]oxy}-5-[4-(...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20-/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/an/an/an/a 160n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294861
PNG
((+/-)-3-[1-Methyl-2-(methylamino)-2-oxoethoxy]-5-[...)
Show SMILES CNC(=O)C(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H21N3O6S2/c1-13(19(25)22-2)29-16-10-14(20(26)24-21-23-8-9-31-21)11-17(12-16)30-15-4-6-18(7-5-15)32(3,27)28/h4-13H,1-3H3,(H,22,25)(H,23,24,26)
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/an/an/an/a>3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294865
PNG
((+/-)-3-[2-(Dimethylamino)-1-methylethoxy]-5-[4-(m...)
Show SMILES CC(CN(C)C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H25N3O5S2/c1-15(14-25(2)3)29-18-11-16(21(26)24-22-23-9-10-31-22)12-19(13-18)30-17-5-7-20(8-6-17)32(4,27)28/h5-13,15H,14H2,1-4H3,(H,23,24,26)
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/an/an/an/a 1.20E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294853
PNG
((+/-)-3-{[(cis)-2-Hydroxycyclopentyl]oxy}-5-[4-(me...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20+/m1/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/an/an/an/a 260n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294872
PNG
(3-[2-Methoxy-1-(methoxymethyl)ethoxy]-5-[4-(methyl...)
Show SMILES COCC(COC)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H24N2O7S2/c1-28-13-19(14-29-2)31-18-11-15(21(25)24-22-23-8-9-32-22)10-17(12-18)30-16-4-6-20(7-5-16)33(3,26)27/h4-12,19H,13-14H2,1-3H3,(H,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/an/an/an/a 610n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294873
PNG
(3-[4-(Methylsulfonyl)phenoxy]-5-(tetrahydro-2H-pyr...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C22H22N2O6S2/c1-32(26,27)20-4-2-16(3-5-20)29-18-12-15(21(25)24-22-23-8-11-31-22)13-19(14-18)30-17-6-9-28-10-7-17/h2-5,8,11-14,17H,6-7,9-10H2,1H3,(H,23,24,25)
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/an/an/an/a 460n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294861
PNG
((+/-)-3-[1-Methyl-2-(methylamino)-2-oxoethoxy]-5-[...)
Show SMILES CNC(=O)C(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H21N3O6S2/c1-13(19(25)22-2)29-16-10-14(20(26)24-21-23-8-9-31-21)11-17(12-16)30-15-4-6-18(7-5-15)32(3,27)28/h4-13H,1-3H3,(H,22,25)(H,23,24,26)
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/an/an/an/a>3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294867
PNG
((+/-)-3-[1-(Hydroxymethyl)-2-methylpropoxy]-5-[4-(...)
Show SMILES CC(C)C(CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H24N2O6S2/c1-14(2)20(13-25)30-18-11-15(21(26)24-22-23-8-9-31-22)10-17(12-18)29-16-4-6-19(7-5-16)32(3,27)28/h4-12,14,20,25H,13H2,1-3H3,(H,23,24,26)
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/an/an/an/a 200n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294858
PNG
(3-[4-(Methylsulfonyl)phenoxy]-5-[(3R)-tetrahydrofu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCOC3)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24)/t16-/m1/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/an/an/an/a 110n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50414395
PNG
(CHEMBL2021545)
Show SMILES CC[C@@H](COC)Oc1cc(Oc2ccc(cc2)S(=O)(=O)OC)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H24N2O7S2/c1-4-16(14-28-2)30-18-11-15(21(25)24-22-23-9-10-32-22)12-19(13-18)31-17-5-7-20(8-6-17)33(26,27)29-3/h5-13,16H,4,14H2,1-3H3,(H,23,24,25)/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/an/an/an/a 60n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50257007
PNG
(3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-(4-me...)
Show SMILES CC(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C21H22N2O5S2/c1-13(2)27-17-9-15(20(24)23-21-22-14(3)12-29-21)10-18(11-17)28-16-5-7-19(8-6-16)30(4,25)26/h5-13H,1-4H3,(H,22,23,24)
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/an/an/an/a 330n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294870
PNG
((+/-)-3-(3-Hydroxy-2-methylpropyl)-5-[4-(methylsul...)
Show SMILES CC(CO)Cc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H22N2O5S2/c1-14(13-24)9-15-10-16(20(25)23-21-22-7-8-29-21)12-18(11-15)28-17-3-5-19(6-4-17)30(2,26)27/h3-8,10-12,14,24H,9,13H2,1-2H3,(H,22,23,25)
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/an/an/an/a 750n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294875
PNG
(3-(Cyclopentyloxy)-5-[4-(methylsulfonyl)phenoxy]-N...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C22H22N2O5S2/c1-31(26,27)20-8-6-17(7-9-20)29-19-13-15(21(25)24-22-23-10-11-30-22)12-18(14-19)28-16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,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/an/an/an/a 490n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294876
PNG
(3-Isopropoxy-5-[4-(methylsulfonyl)phenoxy]-N-1,3-t...)
Show SMILES CC(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2O5S2/c1-13(2)26-16-10-14(19(23)22-20-21-8-9-28-20)11-17(12-16)27-15-4-6-18(7-5-15)29(3,24)25/h4-13H,1-3H3,(H,21,22,23)
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/an/an/an/a 170n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294860
PNG
((+/-)-3-[2-(Dimethylamino)-1-methyl-2-oxoethoxy]-5...)
Show SMILES CC(Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1)C(=O)N(C)C
Show InChI InChI=1S/C22H23N3O6S2/c1-14(21(27)25(2)3)30-17-11-15(20(26)24-22-23-9-10-32-22)12-18(13-17)31-16-5-7-19(8-6-16)33(4,28)29/h5-14H,1-4H3,(H,23,24,26)
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/an/an/an/a>3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294864
PNG
((+/-)-3-[4-(Methylsulfonyl)phenoxy]-5-(pyrrolidin-...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC3CCNC3)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C21H21N3O5S2/c1-31(26,27)19-4-2-15(3-5-19)28-17-10-14(20(25)24-21-23-8-9-30-21)11-18(12-17)29-16-6-7-22-13-16/h2-5,8-12,16,22H,6-7,13H2,1H3,(H,23,24,25)
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/an/an/an/a 4.20E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294854
PNG
(3-[(1R)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulf...)
Show SMILES C[C@H](CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294862
PNG
((+/-)-2-(3-[4-(Methylsulfonyl)phenoxy]-5-{[(4-meth...)
Show SMILES CC(Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1)C(O)=O
Show InChI InChI=1S/C20H18N2O7S2/c1-12(19(24)25)28-15-9-13(18(23)22-20-21-7-8-30-20)10-16(11-15)29-14-3-5-17(6-4-14)31(2,26)27/h3-12H,1-2H3,(H,24,25)(H,21,22,23)
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/an/an/an/a 3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294856
PNG
((R)-3-(1-methoxybutan-2-yloxy)-5-(4-(methylsulfony...)
Show SMILES CC[C@H](COC)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H24N2O6S2/c1-4-16(14-28-2)29-18-11-15(21(25)24-22-23-9-10-31-22)12-19(13-18)30-17-5-7-20(8-6-17)32(3,26)27/h5-13,16H,4,14H2,1-3H3,(H,23,24,25)/t16-/m1/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/an/an/an/a 190n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294851
PNG
((+/-)-3-{[(trans)-2-Hydroxycyclopentyl]oxy}-5-[4-(...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20-/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/an/an/an/a 90n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294871
PNG
(3-(2-Hydroxyethoxy)-5-[4-(methylsulfonyl)phenoxy]-...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OCCO)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C19H18N2O6S2/c1-29(24,25)17-4-2-14(3-5-17)27-16-11-13(10-15(12-16)26-8-7-22)18(23)21-19-20-6-9-28-19/h2-6,9-12,22H,7-8H2,1H3,(H,20,21,23)
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/an/an/an/a 200n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294873
PNG
(3-[4-(Methylsulfonyl)phenoxy]-5-(tetrahydro-2H-pyr...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC3CCOCC3)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C22H22N2O6S2/c1-32(26,27)20-4-2-16(3-5-20)29-18-12-15(21(25)24-22-23-8-11-31-22)13-19(14-18)30-17-6-9-28-10-7-17/h2-5,8,11-14,17H,6-7,9-10H2,1H3,(H,23,24,25)
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/an/an/an/a 120n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50414394
PNG
(CHEMBL2021551)
Show SMILES CC[C@H](COC)Oc1cc(Oc2ccc(cc2)S(=O)(=O)OC)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H24N2O7S2/c1-4-16(14-28-2)30-18-11-15(21(25)24-22-23-9-10-32-22)12-19(13-18)31-17-5-7-20(8-6-17)33(26,27)29-3/h5-13,16H,4,14H2,1-3H3,(H,23,24,25)/t16-/m1/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/an/an/an/a 360n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294855
PNG
((S)-3-(1-hydroxypropan-2-yloxy)-5-(4-(methylsulfon...)
Show SMILES C[C@@H](CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 80n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294866
PNG
((+/-)-3-(2-Amino-1-methylethoxy)-5-[4-(methylsulfo...)
Show SMILES CC(CN)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H21N3O5S2/c1-13(12-21)27-16-9-14(19(24)23-20-22-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13H,12,21H2,1-2H3,(H,22,23,24)
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/an/an/an/a 1.50E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294868
PNG
((+/-)-3-[4-(Methylsulfonyl)phenoxy]-N-1,3-thiazol-...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC(CO)C(F)(F)F)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C20H17F3N2O6S2/c1-33(28,29)16-4-2-13(3-5-16)30-14-8-12(18(27)25-19-24-6-7-32-19)9-15(10-14)31-17(11-26)20(21,22)23/h2-10,17,26H,11H2,1H3,(H,24,25,27)
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/an/an/an/a 790n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294871
PNG
(3-(2-Hydroxyethoxy)-5-[4-(methylsulfonyl)phenoxy]-...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OCCO)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C19H18N2O6S2/c1-29(24,25)17-4-2-14(3-5-17)27-16-11-13(10-15(12-16)26-8-7-22)18(23)21-19-20-6-9-28-19/h2-6,9-12,22H,7-8H2,1H3,(H,20,21,23)
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/an/an/an/a 780n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294853
PNG
((+/-)-3-{[(cis)-2-Hydroxycyclopentyl]oxy}-5-[4-(me...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20+/m1/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/an/an/an/a 110n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294858
PNG
(3-[4-(Methylsulfonyl)phenoxy]-5-[(3R)-tetrahydrofu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCOC3)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24)/t16-/m1/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/an/an/an/a 300n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294859
PNG
(3-[4-(Methylsulfonyl)phenoxy]-5-[(3S)-tetrahydrofu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCOC3)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24)/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/an/an/an/a 50n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294866
PNG
((+/-)-3-(2-Amino-1-methylethoxy)-5-[4-(methylsulfo...)
Show SMILES CC(CN)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H21N3O5S2/c1-13(12-21)27-16-9-14(19(24)23-20-22-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13H,12,21H2,1-2H3,(H,22,23,24)
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/an/an/an/a 210n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294868
PNG
((+/-)-3-[4-(Methylsulfonyl)phenoxy]-N-1,3-thiazol-...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC(CO)C(F)(F)F)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C20H17F3N2O6S2/c1-33(28,29)16-4-2-13(3-5-16)30-14-8-12(18(27)25-19-24-6-7-32-19)9-15(10-14)31-17(11-26)20(21,22)23/h2-10,17,26H,11H2,1H3,(H,24,25,27)
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/an/an/an/a 240n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294852
PNG
(3-((1R,2S)-2-hydroxycyclopentyloxy)-5-(4-(methylsu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCC[C@@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20+/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/an/an/an/a 3.40E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294869
PNG
((+/-)-3-(3-Hydroxy-1-methylpropoxy)-5-[4-(methylsu...)
Show SMILES CC(CCO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H22N2O6S2/c1-14(7-9-24)28-17-11-15(20(25)23-21-22-8-10-30-21)12-18(13-17)29-16-3-5-19(6-4-16)31(2,26)27/h3-6,8,10-14,24H,7,9H2,1-2H3,(H,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294874
PNG
((+/-)-3-(2-Methoxy-1-methylethoxy)-5-[4-(methylsul...)
Show SMILES COCC(C)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C21H22N2O6S2/c1-14(13-27-2)28-17-10-15(20(24)23-21-22-8-9-30-21)11-18(12-17)29-16-4-6-19(7-5-16)31(3,25)26/h4-12,14H,13H2,1-3H3,(H,22,23,24)
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/an/an/an/a 190n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294854
PNG
(3-[(1R)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulf...)
Show SMILES C[C@H](CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 910n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294856
PNG
((R)-3-(1-methoxybutan-2-yloxy)-5-(4-(methylsulfony...)
Show SMILES CC[C@H](COC)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H24N2O6S2/c1-4-16(14-28-2)29-18-11-15(21(25)24-22-23-9-10-31-22)12-19(13-18)30-17-5-7-20(8-6-17)32(3,26)27/h5-13,16H,4,14H2,1-3H3,(H,23,24,25)/t16-/m1/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/an/an/an/a 60n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294853
PNG
((+/-)-3-{[(cis)-2-Hydroxycyclopentyl]oxy}-5-[4-(me...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCC[C@H]3O)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C22H22N2O6S2/c1-32(27,28)18-7-5-15(6-8-18)29-16-11-14(21(26)24-22-23-9-10-31-22)12-17(13-16)30-20-4-2-3-19(20)25/h5-13,19-20,25H,2-4H2,1H3,(H,23,24,26)/t19-,20+/m1/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/an/an/an/a 260n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294858
PNG
(3-[4-(Methylsulfonyl)phenoxy]-5-[(3R)-tetrahydrofu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@@H]3CCOC3)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24)/t16-/m1/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/an/an/an/a 1.80E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294859
PNG
(3-[4-(Methylsulfonyl)phenoxy]-5-[(3S)-tetrahydrofu...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(O[C@H]3CCOC3)cc(c2)C(=O)Nc2nccs2)cc1 |r|
Show InChI InChI=1S/C21H20N2O6S2/c1-31(25,26)19-4-2-15(3-5-19)28-17-10-14(20(24)23-21-22-7-9-30-21)11-18(12-17)29-16-6-8-27-13-16/h2-5,7,9-12,16H,6,8,13H2,1H3,(H,22,23,24)/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/an/an/an/a 190n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294860
PNG
((+/-)-3-[2-(Dimethylamino)-1-methyl-2-oxoethoxy]-5...)
Show SMILES CC(Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1)C(=O)N(C)C
Show InChI InChI=1S/C22H23N3O6S2/c1-14(21(27)25(2)3)30-17-11-15(20(26)24-22-23-9-10-32-22)12-18(13-17)31-16-5-7-19(8-6-16)33(4,28)29/h5-14H,1-4H3,(H,23,24,26)
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/an/an/an/a>3.00E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294864
PNG
((+/-)-3-[4-(Methylsulfonyl)phenoxy]-5-(pyrrolidin-...)
Show SMILES CS(=O)(=O)c1ccc(Oc2cc(OC3CCNC3)cc(c2)C(=O)Nc2nccs2)cc1
Show InChI InChI=1S/C21H21N3O5S2/c1-31(26,27)19-4-2-15(3-5-19)28-17-10-14(20(25)24-21-23-8-9-30-21)11-18(12-17)29-16-6-7-22-13-16/h2-5,8-12,16,22H,6-7,13H2,1H3,(H,23,24,25)
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/an/an/an/a 1.80E+4n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294867
PNG
((+/-)-3-[1-(Hydroxymethyl)-2-methylpropoxy]-5-[4-(...)
Show SMILES CC(C)C(CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H24N2O6S2/c1-14(2)20(13-25)30-18-11-15(21(26)24-22-23-8-9-31-22)10-17(12-18)29-16-4-6-19(7-5-16)32(3,27)28/h4-12,14,20,25H,13H2,1-3H3,(H,23,24,26)
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/an/an/an/a 360n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294855
PNG
((S)-3-(1-hydroxypropan-2-yloxy)-5-(4-(methylsulfon...)
Show SMILES C[C@@H](CO)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C20H20N2O6S2/c1-13(12-23)27-16-9-14(19(24)22-20-21-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13,23H,12H2,1-2H3,(H,21,22,24)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294862
PNG
((+/-)-2-(3-[4-(Methylsulfonyl)phenoxy]-5-{[(4-meth...)
Show SMILES CC(Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1)C(O)=O
Show InChI InChI=1S/C20H18N2O7S2/c1-12(19(24)25)28-15-9-13(18(23)22-20-21-7-8-30-20)10-16(11-15)29-14-3-5-17(6-4-14)31(2,26)27/h3-12H,1-2H3,(H,24,25)(H,21,22,23)
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/an/an/an/a 7.40E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294863
PNG
((+/-)-3-[(1-Methylpyrrolidin-3-yl)oxy]-5-[4-(methy...)
Show SMILES CN1CCC(C1)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H23N3O5S2/c1-25-9-7-17(14-25)30-19-12-15(21(26)24-22-23-8-10-31-22)11-18(13-19)29-16-3-5-20(6-4-16)32(2,27)28/h3-6,8,10-13,17H,7,9,14H2,1-2H3,(H,23,24,26)
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/an/an/an/a 7.30E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50294872
PNG
(3-[2-Methoxy-1-(methoxymethyl)ethoxy]-5-[4-(methyl...)
Show SMILES COCC(COC)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C22H24N2O7S2/c1-28-13-19(14-29-2)31-18-11-15(21(25)24-22-23-8-9-32-22)10-17(12-18)30-16-4-6-20(7-5-16)33(3,26)27/h4-12,19H,13-14H2,1-3H3,(H,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/an/an/an/a 120n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50414395
PNG
(CHEMBL2021545)
Show SMILES CC[C@@H](COC)Oc1cc(Oc2ccc(cc2)S(=O)(=O)OC)cc(c1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1S/C22H24N2O7S2/c1-4-16(14-28-2)30-18-11-15(21(25)24-22-23-9-10-32-22)12-19(13-18)31-17-5-7-20(8-6-17)33(26,27)29-3/h5-13,16H,4,14H2,1-3H3,(H,23,24,25)/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/an/an/an/a 130n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...

Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%