BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1183 hits Enz. Inhib. hit(s) with Target = 'Glucokinase'   
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 type IV


(Homo sapiens (Human))
BDBM249124
PNG
(US9453038, 1)
Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(CCC(=O)OC)cn2)cc1
Show InChI InChI=1S/C30H31N3O6S/c1-4-40(36,37)22-9-7-21(8-10-22)39-28-16-20-15-26(24-11-5-19(18-31-24)6-14-30(35)38-3)32-25(20)17-23(28)27-12-13-29(34)33(27)2/h5,7-11,15-18,27,32H,4,6,12-14H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 1.90n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249145
PNG
(US9453038, 23)
Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2cnccn2)cc1
Show InChI InChI=1S/C27H26N4O4/c1-31-24(8-9-26(31)32)20-15-21-18(13-22(30-21)23-16-28-11-12-29-23)14-25(20)35-19-6-3-17(4-7-19)5-10-27(33)34-2/h3-4,6-7,11-16,24,30H,5,8-10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 2.10n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249137
PNG
(US9453038, 15)
Show SMILES COC(=O)CCc1ccc(nc1)-c1cc2cc(Oc3ccc(cc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
Show InChI InChI=1S/C29H29N3O6S/c1-32-26(11-12-28(32)33)22-16-24-19(15-27(22)38-20-6-8-21(9-7-20)39(3,35)36)14-25(31-24)23-10-4-18(17-30-23)5-13-29(34)37-2/h4,6-10,14-17,26,31H,5,11-13H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 3.80n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249148
PNG
(US9453038, 26)
Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccccn2)cc1
Show InChI InChI=1S/C28H27N3O4/c1-31-25(11-12-27(31)32)21-17-23-19(15-24(30-23)22-5-3-4-14-29-22)16-26(21)35-20-9-6-18(7-10-20)8-13-28(33)34-2/h3-7,9-10,14-17,25,30H,8,11-13H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4.30n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50008283
PNG
(CHEMBL3235148)
Show SMILES CCNC(=O)Cc1csc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)cc(c2)-c2ncccc2C)n1
Show InChI InChI=1S/C27H26N4O5S2/c1-4-28-24(32)15-20-16-37-27(30-20)31-26(33)19-12-18(25-17(2)6-5-11-29-25)13-22(14-19)36-21-7-9-23(10-8-21)38(3,34)35/h5-14,16H,4,15H2,1-3H3,(H,28,32)(H,30,31,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry


Bioorg Med Chem 22: 2280-93 (2014)


Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089108
PNG
(CHEMBL3577727)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN(C)C)c1
Show InChI InChI=1S/C27H33N5O3/c1-20(19-34-5)35-25-17-22(15-23(18-25)27(33)29-26-11-13-32(4)30-26)10-9-21-7-6-8-24(16-21)28-12-14-31(2)3/h6-8,11,13,15-18,20,28H,12,14,19H2,1-5H3,(H,29,30,33)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089134
PNG
(CHEMBL3577728)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCC2)c1
Show InChI InChI=1S/C29H35N5O3/c1-22(21-36-3)37-27-19-24(17-25(20-27)29(35)31-28-11-15-33(2)32-28)10-9-23-7-6-8-26(18-23)30-12-16-34-13-4-5-14-34/h6-8,11,15,17-20,22,30H,4-5,12-14,16,21H2,1-3H3,(H,31,32,35)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089135
PNG
(CHEMBL3577729)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCCCC2)c1
Show InChI InChI=1S/C30H37N5O3/c1-23(22-37-3)38-28-20-25(18-26(21-28)30(36)32-29-12-16-34(2)33-29)11-10-24-8-7-9-27(19-24)31-13-17-35-14-5-4-6-15-35/h7-9,12,16,18-21,23,31H,4-6,13-15,17,22H2,1-3H3,(H,32,33,36)/t23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089139
PNG
(CHEMBL3577715)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCOC1CCCCO1
Show InChI InChI=1S/C23H29N3O5/c1-17(16-28-3)31-20-14-18(7-6-12-30-22-8-4-5-11-29-22)13-19(15-20)23(27)24-21-9-10-26(2)25-21/h9-10,13-15,17,22H,4-5,8,11-12,16H2,1-3H3,(H,24,25,27)/t17-,22?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089180
PNG
(CHEMBL3577735)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCCC2)c1
Show InChI InChI=1S/C29H34N4O4/c1-22(21-35-3)37-27-19-24(17-25(20-27)29(34)30-28-11-14-32(2)31-28)10-9-23-7-6-8-26(18-23)36-16-15-33-12-4-5-13-33/h6-8,11,14,17-20,22H,4-5,12-13,15-16,21H2,1-3H3,(H,30,31,34)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 6n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089181
PNG
(CHEMBL3577736)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCCCC2)c1
Show InChI InChI=1S/C30H36N4O4/c1-23(22-36-3)38-28-20-25(18-26(21-28)30(35)31-29-12-15-33(2)32-29)11-10-24-8-7-9-27(19-24)37-17-16-34-13-5-4-6-14-34/h7-9,12,15,18-21,23H,4-6,13-14,16-17,22H2,1-3H3,(H,31,32,35)/t23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50008306
PNG
(CHEMBL3235155)
Show SMILES COCC(C)NCc1csc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)cc(c2)-c2ncccc2C)n1
Show InChI InChI=1S/C28H30N4O5S2/c1-18-6-5-11-29-26(18)20-12-21(14-24(13-20)37-23-7-9-25(10-8-23)39(4,34)35)27(33)32-28-31-22(17-38-28)15-30-19(2)16-36-3/h5-14,17,19,30H,15-16H2,1-4H3,(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry


Bioorg Med Chem 22: 2280-93 (2014)


Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249157
PNG
(US9453038, 35)
Show SMILES COC(=O)CCc1cnc(s1)-c1cc2cc(Oc3ccc(cc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
Show InChI InChI=1S/C27H27N3O6S2/c1-30-23(9-10-25(30)31)20-14-21-16(13-24(20)36-17-4-7-19(8-5-17)38(3,33)34)12-22(29-21)27-28-15-18(37-27)6-11-26(32)35-2/h4-5,7-8,12-15,23,29H,6,9-11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 8.90n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089177
PNG
(CHEMBL3577732)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCn2ccnc2C)c1
Show InChI InChI=1S/C29H32N6O3/c1-21(20-37-4)38-27-18-24(16-25(19-27)29(36)32-28-10-13-34(3)33-28)9-8-23-6-5-7-26(17-23)31-12-15-35-14-11-30-22(35)2/h5-7,10-11,13-14,16-19,21,31H,12,15,20H2,1-4H3,(H,32,33,36)/t21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50300593
PNG
(3-methyl-2-(4-(1-methyl-1H-pyrazol-3-ylamino)quina...)
Show SMILES Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1
Show InChI InChI=1S/C20H16N6O/c1-13-4-3-5-14(11-21)19(13)27-15-6-7-17-16(10-15)20(23-12-22-17)24-18-8-9-26(2)25-18/h3-10,12H,1-2H3,(H,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...


Bioorg Med Chem Lett 19: 5531-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.064
BindingDB Entry DOI: 10.7270/Q2QR4X63
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249127
PNG
(US9453038, 4)
Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3N3O4/c1-35-25(10-11-27(35)36)21-15-23-18(13-24(34-23)22-9-6-19(16-33-22)29(30,31)32)14-26(21)39-20-7-3-17(4-8-20)5-12-28(37)38-2/h3-4,6-9,13-16,25,34H,5,10-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 11.4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50145874
PNG
(CHEMBL3764079)
Show SMILES CS(=O)(=O)c1ccc(cc1Cl)C(=C\C1CCCC1)\c1cc2cccnc2[nH]1
Show InChI InChI=1S/C21H21ClN2O2S/c1-27(25,26)20-9-8-15(12-18(20)22)17(11-14-5-2-3-6-14)19-13-16-7-4-10-23-21(16)24-19/h4,7-14H,2-3,5-6H2,1H3,(H,23,24)/b17-11-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Servier Research Institute of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Activation of recombinant human glucokinase assessed as NADPH formation using glucose as substrate incubated for 30 mins in presence of NADP+ and glu...


J Med Chem 59: 687-706 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01594
BindingDB Entry DOI: 10.7270/Q2CF9S0F
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089173
PNG
(CHEMBL3577720)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C25H24N4O3/c1-17(16-31-3)32-22-14-19(5-4-18-6-7-23-20(12-18)8-10-26-23)13-21(15-22)25(30)27-24-9-11-29(2)28-24/h6-15,17,26H,16H2,1-3H3,(H,27,28,30)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249134
PNG
(US9453038, 10)
Show SMILES COC(=O)CCc1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)C(=O)N3CCC3)c(cc2[nH]1)C1CCCN1C(C)=O
Show InChI InChI=1S/C32H33N5O5/c1-20(38)37-14-3-5-29(37)24-17-27-22(15-28(35-27)25-9-6-21(18-33-25)7-11-31(39)41-2)16-30(24)42-23-8-10-26(34-19-23)32(40)36-12-4-13-36/h6,8-10,15-19,29,35H,3-5,7,11-14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 13.9n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50041606
PNG
(CHEMBL3358432)
Show SMILES CCc1ncccc1Oc1cc(CC2CCCCC2)cnc1NC(=O)NC
Show InChI InChI=1S/C21H28N4O2/c1-3-17-18(10-7-11-23-17)27-19-13-16(12-15-8-5-4-6-9-15)14-24-20(19)25-21(26)22-2/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3,(H2,22,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant Glucokinase measured over 5 mins by G6-PD coupled assay in presence of 5 mM glucose


ACS Med Chem Lett 5: 1284-9 (2014)


Article DOI: 10.1021/ml500341w
BindingDB Entry DOI: 10.7270/Q2KD20JZ
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249146
PNG
(US9453038, 24)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CCC(O)=O)cc1)-c1ccccn1
Show InChI InChI=1S/C27H25N3O4/c1-30-24(10-11-26(30)31)20-16-22-18(14-23(29-22)21-4-2-3-13-28-21)15-25(20)34-19-8-5-17(6-9-19)7-12-27(32)33/h2-6,8-9,13-16,24,29H,7,10-12H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 15.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089218
PNG
(CHEMBL3577737)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C29H34N4O5/c1-22(21-35-3)38-27-19-24(17-25(20-27)29(34)30-28-9-10-32(2)31-28)8-7-23-5-4-6-26(18-23)37-16-13-33-11-14-36-15-12-33/h4-6,9-10,17-20,22H,11-16,21H2,1-3H3,(H,30,31,34)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249146
PNG
(US9453038, 24)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CCC(O)=O)cc1)-c1ccccn1
Show InChI InChI=1S/C27H25N3O4/c1-30-24(10-11-26(30)31)20-16-22-18(14-23(29-22)21-4-2-3-13-28-21)15-25(20)34-19-8-5-17(6-9-19)7-12-27(32)33/h2-6,8-9,13-16,24,29H,7,10-12H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 17.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50300599
PNG
(6-(3-bromopyridin-2-yloxy)-N-(1-methyl-1H-pyrazol-...)
Show SMILES Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Br)cc23)n1
Show InChI InChI=1S/C17H13BrN6O/c1-24-8-6-15(23-24)22-16-12-9-11(4-5-14(12)20-10-21-16)25-17-13(18)3-2-7-19-17/h2-10H,1H3,(H,20,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...


Bioorg Med Chem Lett 19: 5531-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.064
BindingDB Entry DOI: 10.7270/Q2QR4X63
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50183222
PNG
((S)-6-(3-isopropoxy-5-(1-phenylpropan-2-yloxy)benz...)
Show SMILES CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C25H26N2O5/c1-16(2)31-21-12-20(24(28)27-23-10-9-19(15-26-23)25(29)30)13-22(14-21)32-17(3)11-18-7-5-4-6-8-18/h4-10,12-17H,11H2,1-3H3,(H,29,30)(H,26,27,28)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activitation of glucokinase


Bioorg Med Chem Lett 16: 2705-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.022
BindingDB Entry DOI: 10.7270/Q28G8K91
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50304377
PNG
(3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-...)
Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(nc3cc2Cn2c(O)coc2=O)-c2ccccn2)cc1
Show InChI InChI=1S/C24H20N4O6S/c1-2-35(31,32)17-8-6-16(7-9-17)34-21-12-20-19(26-23(27-20)18-5-3-4-10-25-18)11-15(21)13-28-22(29)14-33-24(28)30/h3-12,14,29H,2,13H2,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of human liver glucokinase expressed in CHO cells at 10 mM glucose concentration by glucose-6-phosphate coupled continous spectrophotometr...


Bioorg Med Chem 17: 7042-51 (2009)


Article DOI: 10.1016/j.bmc.2009.05.037
BindingDB Entry DOI: 10.7270/Q21836JG
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50183222
PNG
((S)-6-(3-isopropoxy-5-(1-phenylpropan-2-yloxy)benz...)
Show SMILES CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C25H26N2O5/c1-16(2)31-21-12-20(24(28)27-23-10-9-19(15-26-23)25(29)30)13-22(14-21)32-17(3)11-18-7-5-4-6-8-18/h4-10,12-17H,11H2,1-3H3,(H,29,30)(H,26,27,28)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically


Bioorg Med Chem Lett 21: 3467-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.093
BindingDB Entry DOI: 10.7270/Q2Z038HG
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089136
PNG
(CHEMBL3577730)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(NCCN2CCOCC2)c1
Show InChI InChI=1S/C29H35N5O4/c1-22(21-36-3)38-27-19-24(17-25(20-27)29(35)31-28-9-11-33(2)32-28)8-7-23-5-4-6-26(18-23)30-10-12-34-13-15-37-16-14-34/h4-6,9,11,17-20,22,30H,10,12-16,21H2,1-3H3,(H,31,32,35)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249147
PNG
(US9453038, 25)
Show SMILES COC(=O)Cc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccccn2)cc1
Show InChI InChI=1S/C27H25N3O4/c1-30-24(10-11-26(30)31)20-16-22-18(14-23(29-22)21-5-3-4-12-28-21)15-25(20)34-19-8-6-17(7-9-19)13-27(32)33-2/h3-9,12,14-16,24,29H,10-11,13H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 21n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089143
PNG
(CHEMBL3577719)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccccc1OC
Show InChI InChI=1S/C24H25N3O4/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,16H2,1-4H3,(H,25,26,28)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249127
PNG
(US9453038, 4)
Show SMILES COC(=O)CCc1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3N3O4/c1-35-25(10-11-27(35)36)21-15-23-18(13-24(34-23)22-9-6-19(16-33-22)29(30,31)32)14-26(21)39-20-7-3-17(4-8-20)5-12-28(37)38-2/h3-4,6-9,13-16,25,34H,5,10-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 21.8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249159
PNG
(US9453038, 37)
Show SMILES CCOP(=O)(Cc1cnc(s1)-c1cc2cc(Oc3ccc(nc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C)OCC
Show InChI InChI=1S/C27H31N4O7PS2/c1-5-36-39(33,37-6-2)16-19-15-29-27(40-19)22-11-17-12-24(38-18-7-9-25(28-14-18)41(4,34)35)20(13-21(17)30-22)23-8-10-26(32)31(23)3/h7,9,11-15,23,30H,5-6,8,10,16H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 23.5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249149
PNG
(US9453038, 27)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CC(O)=O)cc1)-c1ccccn1
Show InChI InChI=1S/C26H23N3O4/c1-29-23(9-10-25(29)30)19-15-21-17(13-22(28-21)20-4-2-3-11-27-20)14-24(19)33-18-7-5-16(6-8-18)12-26(31)32/h2-8,11,13-15,23,28H,9-10,12H2,1H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 23.8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249137
PNG
(US9453038, 15)
Show SMILES COC(=O)CCc1ccc(nc1)-c1cc2cc(Oc3ccc(cc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
Show InChI InChI=1S/C29H29N3O6S/c1-32-26(11-12-28(32)33)22-16-24-19(15-27(22)38-20-6-8-21(9-7-20)39(3,35)36)14-25(31-24)23-10-4-18(17-30-23)5-13-29(34)37-2/h4,6-10,14-17,26,31H,5,11-13H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 24.6n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089142
PNG
(CHEMBL3577718)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#CCSC1CCCC1
Show InChI InChI=1S/C23H29N3O3S/c1-17(16-28-3)29-20-14-18(7-6-12-30-21-8-4-5-9-21)13-19(15-20)23(27)24-22-10-11-26(2)25-22/h10-11,13-15,17,21H,4-5,8-9,12,16H2,1-3H3,(H,24,25,27)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50321004
PNG
((R)-2-(4-(Cyclopropylsulfonyl)phenyl)-N-(4-isoprop...)
Show SMILES CC(C)c1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CC2)n1
Show InChI InChI=1S/C23H30N2O4S2/c1-15(2)21-14-30-23(24-21)25-22(26)20(13-16-9-11-29-12-10-16)17-3-5-18(6-4-17)31(27,28)19-7-8-19/h3-6,14-16,19-20H,7-13H2,1-2H3,(H,24,25,26)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of human glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH by spectrometry


Bioorg Med Chem 18: 3875-84 (2010)


Article DOI: 10.1016/j.bmc.2010.04.038
BindingDB Entry DOI: 10.7270/Q2H995CS
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089176
PNG
(CHEMBL3577723)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(N)c1
Show InChI InChI=1S/C23H24N4O3/c1-16(15-29-3)30-21-13-18(8-7-17-5-4-6-20(24)12-17)11-19(14-21)23(28)25-22-9-10-27(2)26-22/h4-6,9-14,16H,15,24H2,1-3H3,(H,25,26,28)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 27n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50381609
PNG
(CHEMBL2022798)
Show SMILES CC(C)=CCOc1cc(Oc2ccc(cc2)S(=O)(=O)C2CC2)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C24H24N2O5S2/c1-16(2)9-11-30-19-13-17(23(27)26-24-25-10-12-32-24)14-20(15-19)31-18-3-5-21(6-4-18)33(28,29)22-7-8-22/h3-6,9-10,12-15,22H,7-8,11H2,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 28.3n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH assessed as glucose 6-phosphate formation by s...


Bioorg Med Chem 20: 2982-91 (2012)


Article DOI: 10.1016/j.bmc.2012.03.008
BindingDB Entry DOI: 10.7270/Q2H1331F
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50300588
PNG
(6-(2,6-difluorophenoxy)-N-(1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1
Show InChI InChI=1S/C18H13F2N5O/c1-25-8-7-16(24-25)23-18-12-9-11(5-6-15(12)21-10-22-18)26-17-13(19)3-2-4-14(17)20/h2-10H,1H3,(H,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...


Bioorg Med Chem Lett 19: 5531-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.064
BindingDB Entry DOI: 10.7270/Q2QR4X63
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50300602
PNG
(CHEMBL578638 | N-(1-ethyl-1H-pyrazol-3-yl)-6-(2-fl...)
Show SMILES CCn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1
Show InChI InChI=1S/C20H18FN5O3S/c1-3-26-10-9-18(25-26)24-20-14-11-13(7-8-16(14)22-12-23-20)29-19-15(21)5-4-6-17(19)30(2,27)28/h4-12H,3H2,1-2H3,(H,22,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of N-terminal His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) by glucose-6-phosphate dehydrogenase...


Bioorg Med Chem Lett 19: 5531-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.064
BindingDB Entry DOI: 10.7270/Q2QR4X63
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50320996
PNG
(6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenyl...)
Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of human glucokinase expressed in Escherichia coli BL21(DE3) coexpressing G6PDH by spectrometry


Bioorg Med Chem 18: 3875-84 (2010)


Article DOI: 10.1016/j.bmc.2010.04.038
BindingDB Entry DOI: 10.7270/Q2H995CS
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50320996
PNG
(6-(3-((S)-1-methoxypropan-2-yloxy)-5-((S)-1-phenyl...)
Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-17(11-19-7-5-4-6-8-19)33-22-12-21(13-23(14-22)34-18(2)16-32-3)25(29)28-24-10-9-20(15-27-24)26(30)31/h4-10,12-15,17-18H,11,16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically


Bioorg Med Chem Lett 21: 3467-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.093
BindingDB Entry DOI: 10.7270/Q2Z038HG
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50344145
PNG
(6-(3-((S)-1-(5-chlorofuran-2-yl)propan-2-yloxy)-5-...)
Show SMILES COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccc(Cl)o2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C24H25ClN2O7/c1-14(8-18-5-6-21(25)34-18)32-19-9-17(10-20(11-19)33-15(2)13-31-3)23(28)27-22-7-4-16(12-26-22)24(29)30/h4-7,9-12,14-15H,8,13H2,1-3H3,(H,29,30)(H,26,27,28)/t14-,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically


Bioorg Med Chem Lett 21: 3467-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.093
BindingDB Entry DOI: 10.7270/Q2Z038HG
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50344150
PNG
((S)-6-(3-(2,2-difluoro-2-phenylethoxy)-5-(1-methox...)
Show SMILES COC[C@H](C)Oc1cc(OCC(F)(F)c2ccccc2)cc(c1)C(=O)Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C25H24F2N2O6/c1-16(14-33-2)35-21-11-18(23(30)29-22-9-8-17(13-28-22)24(31)32)10-20(12-21)34-15-25(26,27)19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,31,32)(H,28,29,30)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Activation of His-tagged recombinant glucokinase expressed in Escherichia coli using [14C]-glucose substrate by spectrophotometrically


Bioorg Med Chem Lett 21: 3467-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.093
BindingDB Entry DOI: 10.7270/Q2Z038HG
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089174
PNG
(CHEMBL3577721)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccc2OCOc2c1
Show InChI InChI=1S/C24H23N3O5/c1-16(14-29-3)32-20-11-18(5-4-17-6-7-21-22(12-17)31-15-30-21)10-19(13-20)24(28)25-23-8-9-27(2)26-23/h6-13,16H,14-15H2,1-3H3,(H,25,26,28)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50008307
PNG
(CHEMBL3235156)
Show SMILES COC(CNCc1csc(NC(=O)c2cc(Oc3ccc(cc3)S(C)(=O)=O)cc(c2)-c2ncccc2C)n1)OC
Show InChI InChI=1S/C28H30N4O6S2/c1-18-6-5-11-30-26(18)19-12-20(14-23(13-19)38-22-7-9-24(10-8-22)40(4,34)35)27(33)32-28-31-21(17-39-28)15-29-16-25(36-2)37-3/h5-14,17,25,29H,15-16H2,1-4H3,(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 33n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry


Bioorg Med Chem 22: 2280-93 (2014)


Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089175
PNG
(CHEMBL3577722)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1ccc(N)cc1
Show InChI InChI=1S/C23H24N4O3/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,15,24H2,1-3H3,(H,25,26,28)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 34n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM249129
PNG
(US9453038, 5)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(CCC(O)=O)cc1)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N3O4/c1-34-24(9-10-26(34)35)20-14-22-17(12-23(33-22)21-8-5-18(15-32-21)28(29,30)31)13-25(20)38-19-6-2-16(3-7-19)4-11-27(36)37/h2-3,5-8,12-15,24,33H,4,9-11H2,1H3,(H,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 36.4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
To test the exemplified compounds, the following assay was employed. Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E....


US Patent US9453038 (2016)


BindingDB Entry DOI: 10.7270/Q23X85KK
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50089104
PNG
(CHEMBL3577725)
Show SMILES COC[C@H](C)Oc1cc(cc(c1)C(=O)Nc1ccn(C)n1)C#Cc1cccc(c1)N(C)C
Show InChI InChI=1S/C25H28N4O3/c1-18(17-31-5)32-23-15-20(10-9-19-7-6-8-22(14-19)28(2)3)13-21(16-23)25(30)26-24-11-12-29(4)27-24/h6-8,11-16,18H,17H2,1-5H3,(H,26,27,30)/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose as substrate by G6PDH coupled assay


ACS Med Chem Lett 6: 296-301 (2015)


Article DOI: 10.1021/ml5004712
BindingDB Entry DOI: 10.7270/Q2ZP47VT
More data for this
Ligand-Target Pair
Glucokinase regulatory protein


(Mus musculus)
BDBM50009114
PNG
(CHEMBL3237992)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)S(N)(=O)=O)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1S/C18H21N5O4S2/c1-2-3-15-13-22(29(26,27)17-8-9-18(19)21-12-17)10-11-23(15)14-4-6-16(7-5-14)28(20,24)25/h4-9,12,15H,10-11,13H2,1H3,(H2,19,21)(H2,20,24,25)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GKRP-GK interaction in mouse hepatocytes assessed as induction of GK translocation from nucleus to cytoplasm incubated for 20 mins prio...


J Med Chem 57: 3094-116 (2014)


Article DOI: 10.1021/jm5000497
BindingDB Entry DOI: 10.7270/Q2V126BF
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1183 total )  |  Next  |  Last  >>
Jump to: