BindingDB logo
myBDB logout

PubMed code 25203462

Compile data set for download or QSAR
Found 49 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))		BDBM50025821
PNG
(CHEMBL3338063)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCCO
Show InChI InChI=1S/C20H21N5O3S/c1-2-15-16(6-5-9-21-15)28-17-12-14(29-18-7-3-4-8-22-18)13-24-19(17)25-20(27)23-10-11-26/h3-9,12-13,26H,2,10-11H2,1H3,(H2,23,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 2.84E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025827
PNG
(CHEMBL3338157)
Show SMILES CNC(=O)Nc1ncc(SC2CCN(CC2)C(C)=O)cc1Oc1cccnc1C
Show InChI InChI=1S/C20H25N5O3S/c1-13-17(5-4-8-22-13)28-18-11-16(12-23-19(18)24-20(27)21-3)29-15-6-9-25(10-7-15)14(2)26/h4-5,8,11-12,15H,6-7,9-10H2,1-3H3,(H2,21,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 196n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025817
PNG
(CHEMBL3338067)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccccc1O
Show InChI InChI=1S/C25H23N5O3S/c1-2-19-21(10-7-13-26-19)33-22-14-18(34-23-11-5-6-12-27-23)16-28-24(22)30-25(32)29-15-17-8-3-4-9-20(17)31/h3-14,16,31H,2,15H2,1H3,(H2,28,29,30,32)
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 393n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025823
PNG
(CHEMBL3338060)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NC
Show InChI InChI=1S/C19H19N5O2S/c1-3-14-15(7-6-10-21-14)26-16-11-13(27-17-8-4-5-9-22-17)12-23-18(16)24-19(25)20-2/h4-12H,3H2,1-2H3,(H2,20,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PDB
Article
PubMed
n/an/an/an/a 88n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hexokinase-4


(Homo sapiens (Human))		BDBM50025833
PNG
(CHEMBL3338057)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(C)=O
Show InChI InChI=1S/C19H18N4O2S/c1-3-15-16(7-6-10-20-15)25-17-11-14(12-22-19(17)23-13(2)24)26-18-8-4-5-9-21-18/h4-12H,3H2,1-2H3,(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

Similars
Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025782
PNG
(CHEMBL3338074)
Show SMILES CNC(=O)Nc1ncc(SCc2ccccc2)cc1Oc1cccnc1C
Show InChI InChI=1S/C20H20N4O2S/c1-14-17(9-6-10-22-14)26-18-11-16(12-23-19(18)24-20(25)21-2)27-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H2,21,23,24,25)
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 172n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025814
PNG
(CHEMBL3338070)
Show SMILES CNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1C
Show InChI InChI=1S/C18H17N5O2S/c1-12-14(6-5-9-20-12)25-15-10-13(26-16-7-3-4-8-21-16)11-22-17(15)23-18(24)19-2/h3-11H,1-2H3,(H2,19,22,23,24)
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 262n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025818
PNG
(CHEMBL3338066)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccncc1
Show InChI InChI=1S/C24H22N6O2S/c1-2-19-20(6-5-11-26-19)32-21-14-18(33-22-7-3-4-10-27-22)16-28-23(21)30-24(31)29-15-17-8-12-25-13-9-17/h3-14,16H,2,15H2,1H3,(H2,28,29,30,31)
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 952n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025825
PNG
(CHEMBL3338056)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC=O
Show InChI InChI=1S/C18H16N4O2S/c1-2-14-15(6-5-9-19-14)24-16-10-13(11-21-18(16)22-12-23)25-17-7-3-4-8-20-17/h3-12H,2H2,1H3,(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 1.32E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025828
PNG
(CHEMBL3338156)
Show SMILES CNC(=O)Nc1ncc(SC2CCN(CC2)C(=O)OC(C)(C)C)cc1Oc1cccnc1C
Show InChI InChI=1S/C23H31N5O4S/c1-15-18(7-6-10-25-15)31-19-13-17(14-26-20(19)27-21(29)24-5)33-16-8-11-28(12-9-16)22(30)32-23(2,3)4/h6-7,10,13-14,16H,8-9,11-12H2,1-5H3,(H2,24,26,27,29)
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 550n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025780
PNG
(CHEMBL3338076)
Show SMILES CNC(=O)Nc1ncc(SCCCOC)cc1Oc1cccnc1C
Show InChI InChI=1S/C17H22N4O3S/c1-12-14(6-4-7-19-12)24-15-10-13(25-9-5-8-23-3)11-20-16(15)21-17(22)18-2/h4,6-7,10-11H,5,8-9H2,1-3H3,(H2,18,20,21,22)
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 311n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025819
PNG
(CHEMBL3338065)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1cccnc1
Show InChI InChI=1S/C24H22N6O2S/c1-2-19-20(8-6-12-26-19)32-21-13-18(33-22-9-3-4-11-27-22)16-28-23(21)30-24(31)29-15-17-7-5-10-25-14-17/h3-14,16H,2,15H2,1H3,(H2,28,29,30,31)
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 1.97E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025812
PNG
(CHEMBL3338072)
Show SMILES CNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1c(C)n[nH]c1C
Show InChI InChI=1S/C17H18N6O2S/c1-10-15(11(2)23-22-10)25-13-8-12(26-14-6-4-5-7-19-14)9-20-16(13)21-17(24)18-3/h4-9H,1-3H3,(H,22,23)(H2,18,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 2.24E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025814
PNG
(CHEMBL3338070)
Show SMILES CNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1C
Show InChI InChI=1S/C18H17N5O2S/c1-12-14(6-5-9-20-12)25-15-10-13(26-16-7-3-4-8-21-16)11-22-17(15)23-18(24)19-2/h3-11H,1-2H3,(H2,19,22,23,24)
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 1.85E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025823
PNG
(CHEMBL3338060)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NC
Show InChI InChI=1S/C19H19N5O2S/c1-3-14-15(7-6-10-21-14)26-16-11-13(27-17-8-4-5-9-22-17)12-23-18(16)24-19(25)20-2/h4-12H,3H2,1-2H3,(H2,20,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PDB
Article
PubMed
n/an/an/an/a 231n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Hexokinase-4


(Homo sapiens (Human))		BDBM50025780
PNG
(CHEMBL3338076)
Show SMILES CNC(=O)Nc1ncc(SCCCOC)cc1Oc1cccnc1C
Show InChI InChI=1S/C17H22N4O3S/c1-12-14(6-4-7-19-12)24-15-10-13(25-9-5-8-23-3)11-20-16(15)21-17(22)18-2/h4,6-7,10-11H,5,8-9H2,1-3H3,(H2,18,20,21,22)
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 182n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025813
PNG
(CHEMBL3338071)
Show SMILES CCn1nccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NC
Show InChI InChI=1S/C17H18N6O2S/c1-3-23-15(7-9-21-23)25-13-10-12(26-14-6-4-5-8-19-14)11-20-16(13)22-17(24)18-2/h4-11H,3H2,1-2H3,(H2,18,20,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 319n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025820
PNG
(CHEMBL3338064)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccccn1
Show InChI InChI=1S/C24H22N6O2S/c1-2-19-20(9-7-13-26-19)32-21-14-18(33-22-10-4-6-12-27-22)16-28-23(21)30-24(31)29-15-17-8-3-5-11-25-17/h3-14,16H,2,15H2,1H3,(H2,28,29,30,31)
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 1.62E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025821
PNG
(CHEMBL3338063)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCCO
Show InChI InChI=1S/C20H21N5O3S/c1-2-15-16(6-5-9-21-15)28-17-12-14(29-18-7-3-4-8-22-18)13-24-19(17)25-20(27)23-10-11-26/h3-9,12-13,26H,2,10-11H2,1H3,(H2,23,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 2.12E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025824
PNG
(CHEMBL3338059)
Show SMILES CCNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1CC
Show InChI InChI=1S/C20H21N5O2S/c1-3-15-16(8-7-11-22-15)27-17-12-14(28-18-9-5-6-10-23-18)13-24-19(17)25-20(26)21-4-2/h5-13H,3-4H2,1-2H3,(H2,21,24,25,26)
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 203n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025783
PNG
(CHEMBL3338073)
Show SMILES CNC(=O)Nc1ncc(SCc2ccccn2)cc1Oc1cccnc1C
Show InChI InChI=1S/C19H19N5O2S/c1-13-16(7-5-9-21-13)26-17-10-15(11-23-18(17)24-19(25)20-2)27-12-14-6-3-4-8-22-14/h3-11H,12H2,1-2H3,(H2,20,23,24,25)
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 9.30E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025815
PNG
(CHEMBL3338069)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C25H23N5O3S/c1-2-20-21(6-5-13-26-20)33-22-14-19(34-23-7-3-4-12-27-23)16-28-24(22)30-25(32)29-15-17-8-10-18(31)11-9-17/h3-14,16,31H,2,15H2,1H3,(H2,28,29,30,32)
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 1.53E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025816
PNG
(CHEMBL3338068)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1cccc(O)c1
Show InChI InChI=1S/C25H23N5O3S/c1-2-20-21(9-6-12-26-20)33-22-14-19(34-23-10-3-4-11-27-23)16-28-24(22)30-25(32)29-15-17-7-5-8-18(31)13-17/h3-14,16,31H,2,15H2,1H3,(H2,28,29,30,32)
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 2.83E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025818
PNG
(CHEMBL3338066)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccncc1
Show InChI InChI=1S/C24H22N6O2S/c1-2-19-20(6-5-11-26-19)32-21-14-18(33-22-7-3-4-10-27-22)16-28-23(21)30-24(31)29-15-17-8-12-25-13-9-17/h3-14,16H,2,15H2,1H3,(H2,28,29,30,31)
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 1.16E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025826
PNG
(CHEMBL3338158)
Show SMILES CNC(=O)Nc1ncc(SC2CCN(CC2)S(C)(=O)=O)cc1Oc1cccnc1C
Show InChI InChI=1S/C19H25N5O4S2/c1-13-16(5-4-8-21-13)28-17-11-15(12-22-18(17)23-19(25)20-2)29-14-6-9-24(10-7-14)30(3,26)27/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H2,20,22,23,25)
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 195n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025781
PNG
(CHEMBL3338075)
Show SMILES CNC(=O)Nc1ncc(SCCCO)cc1Oc1cccnc1C
Show InChI InChI=1S/C16H20N4O3S/c1-11-13(5-3-6-18-11)23-14-9-12(24-8-4-7-21)10-19-15(14)20-16(22)17-2/h3,5-6,9-10,21H,4,7-8H2,1-2H3,(H2,17,19,20,22)
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 550n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025816
PNG
(CHEMBL3338068)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1cccc(O)c1
Show InChI InChI=1S/C25H23N5O3S/c1-2-20-21(9-6-12-26-20)33-22-14-19(34-23-10-3-4-11-27-23)16-28-24(22)30-25(32)29-15-17-7-5-8-18(31)13-17/h3-14,16,31H,2,15H2,1H3,(H2,28,29,30,32)
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 276n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025831
PNG
(CHEMBL3338062)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NC(C)C
Show InChI InChI=1S/C21H23N5O2S/c1-4-16-17(8-7-11-22-16)28-18-12-15(29-19-9-5-6-10-23-19)13-24-20(18)26-21(27)25-14(2)3/h5-14H,4H2,1-3H3,(H2,24,25,26,27)
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>5.00E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025826
PNG
(CHEMBL3338158)
Show SMILES CNC(=O)Nc1ncc(SC2CCN(CC2)S(C)(=O)=O)cc1Oc1cccnc1C
Show InChI InChI=1S/C19H25N5O4S2/c1-13-16(5-4-8-21-13)28-17-11-15(12-22-18(17)23-19(25)20-2)29-14-6-9-24(10-7-14)30(3,26)27/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H2,20,22,23,25)
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 248n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025812
PNG
(CHEMBL3338072)
Show SMILES CNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1c(C)n[nH]c1C
Show InChI InChI=1S/C17H18N6O2S/c1-10-15(11(2)23-22-10)25-13-8-12(26-14-6-4-5-7-19-14)9-20-16(13)21-17(24)18-3/h4-9H,1-3H3,(H,22,23)(H2,18,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 345n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025813
PNG
(CHEMBL3338071)
Show SMILES CCn1nccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NC
Show InChI InChI=1S/C17H18N6O2S/c1-3-23-15(7-9-21-23)25-13-10-12(26-14-6-4-5-8-19-14)11-20-16(13)22-17(24)18-2/h4-11H,3H2,1-2H3,(H2,18,20,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 472n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025822
PNG
(CHEMBL3338061)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(N)=O
Show InChI InChI=1S/C18H17N5O2S/c1-2-13-14(6-5-9-20-13)25-15-10-12(11-22-17(15)23-18(19)24)26-16-7-3-4-8-21-16/h3-11H,2H2,1H3,(H3,19,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 4.48E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025828
PNG
(CHEMBL3338156)
Show SMILES CNC(=O)Nc1ncc(SC2CCN(CC2)C(=O)OC(C)(C)C)cc1Oc1cccnc1C
Show InChI InChI=1S/C23H31N5O4S/c1-15-18(7-6-10-25-15)31-19-13-17(14-26-20(19)27-21(29)24-5)33-16-8-11-28(12-9-16)22(30)32-23(2,3)4/h6-7,10,13-14,16H,8-9,11-12H2,1-5H3,(H2,24,26,27,29)
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 132n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025829
PNG
(CHEMBL3338155)
Show SMILES CNC(=O)Nc1ncc(SC2CCOCC2)cc1Oc1cccnc1C
Show InChI InChI=1S/C18H22N4O3S/c1-12-15(4-3-7-20-12)25-16-10-14(26-13-5-8-24-9-6-13)11-21-17(16)22-18(23)19-2/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,19,21,22,23)
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 336n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025832
PNG
(CHEMBL3338058)
Show SMILES CCOC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1CC
Show InChI InChI=1S/C20H20N4O3S/c1-3-15-16(8-7-11-21-15)27-17-12-14(28-18-9-5-6-10-22-18)13-23-19(17)24-20(25)26-4-2/h5-13H,3-4H2,1-2H3,(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>5.00E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025781
PNG
(CHEMBL3338075)
Show SMILES CNC(=O)Nc1ncc(SCCCO)cc1Oc1cccnc1C
Show InChI InChI=1S/C16H20N4O3S/c1-11-13(5-3-6-18-11)23-14-9-12(24-8-4-7-21)10-19-15(14)20-16(22)17-2/h3,5-6,9-10,21H,4,7-8H2,1-2H3,(H2,17,19,20,22)
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 714n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025820
PNG
(CHEMBL3338064)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccccn1
Show InChI InChI=1S/C24H22N6O2S/c1-2-19-20(9-7-13-26-19)32-21-14-18(33-22-10-4-6-12-27-22)16-28-23(21)30-24(31)29-15-17-8-3-5-11-25-17/h3-14,16H,2,15H2,1H3,(H2,28,29,30,31)
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 3.99E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025824
PNG
(CHEMBL3338059)
Show SMILES CCNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1CC
Show InChI InChI=1S/C20H21N5O2S/c1-3-15-16(8-7-11-22-15)27-17-12-14(28-18-9-5-6-10-23-18)13-24-19(17)25-20(26)21-4-2/h5-13H,3-4H2,1-2H3,(H2,21,24,25,26)
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 547n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025827
PNG
(CHEMBL3338157)
Show SMILES CNC(=O)Nc1ncc(SC2CCN(CC2)C(C)=O)cc1Oc1cccnc1C
Show InChI InChI=1S/C20H25N5O3S/c1-13-17(5-4-8-22-13)28-18-11-16(12-23-19(18)24-20(27)21-3)29-15-6-9-25(10-7-15)14(2)26/h4-5,8,11-12,15H,6-7,9-10H2,1-3H3,(H2,21,23,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 111n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025830
PNG
(CHEMBL3338077)
Show SMILES CNC(=O)Nc1ncc(SCC2CCOCC2)cc1Oc1cccnc1C
Show InChI InChI=1S/C19H24N4O3S/c1-13-16(4-3-7-21-13)26-17-10-15(11-22-18(17)23-19(24)20-2)27-12-14-5-8-25-9-6-14/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H2,20,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 317n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025783
PNG
(CHEMBL3338073)
Show SMILES CNC(=O)Nc1ncc(SCc2ccccn2)cc1Oc1cccnc1C
Show InChI InChI=1S/C19H19N5O2S/c1-13-16(7-5-9-21-13)26-17-10-15(11-23-18(17)24-19(25)20-2)27-12-14-6-3-4-8-22-14/h3-11H,12H2,1-2H3,(H2,20,23,24,25)
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 3.09E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025782
PNG
(CHEMBL3338074)
Show SMILES CNC(=O)Nc1ncc(SCc2ccccc2)cc1Oc1cccnc1C
Show InChI InChI=1S/C20H20N4O2S/c1-14-17(9-6-10-22-14)26-18-11-16(12-23-19(18)24-20(25)21-2)27-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H2,21,23,24,25)
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 1.18E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025817
PNG
(CHEMBL3338067)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccccc1O
Show InChI InChI=1S/C25H23N5O3S/c1-2-19-21(10-7-13-26-19)33-22-14-18(34-23-11-5-6-12-27-23)16-28-24(22)30-25(32)29-15-17-8-3-4-9-20(17)31/h3-14,16,31H,2,15H2,1H3,(H2,28,29,30,32)
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 5.85E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025815
PNG
(CHEMBL3338069)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C25H23N5O3S/c1-2-20-21(6-5-13-26-20)33-22-14-19(34-23-7-3-4-12-27-23)16-28-24(22)30-25(32)29-15-17-8-10-18(31)11-9-17/h3-14,16,31H,2,15H2,1H3,(H2,28,29,30,32)
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 172n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025819
PNG
(CHEMBL3338065)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NCc1cccnc1
Show InChI InChI=1S/C24H22N6O2S/c1-2-19-20(8-6-12-26-19)32-21-13-18(33-22-9-3-4-11-27-22)16-28-23(21)30-24(31)29-15-17-7-5-10-25-14-17/h3-14,16H,2,15H2,1H3,(H2,28,29,30,31)
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 758n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025822
PNG
(CHEMBL3338061)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(N)=O
Show InChI InChI=1S/C18H17N5O2S/c1-2-13-14(6-5-9-20-13)25-15-10-12(11-22-17(15)23-18(19)24)26-16-7-3-4-8-21-16/h3-11H,2H2,1H3,(H3,19,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 1.73E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025830
PNG
(CHEMBL3338077)
Show SMILES CNC(=O)Nc1ncc(SCC2CCOCC2)cc1Oc1cccnc1C
Show InChI InChI=1S/C19H24N4O3S/c1-13-16(4-3-7-21-13)26-17-10-15(11-22-18(17)23-19(24)20-2)27-12-14-5-8-25-9-6-14/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H2,20,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 436n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025829
PNG
(CHEMBL3338155)
Show SMILES CNC(=O)Nc1ncc(SC2CCOCC2)cc1Oc1cccnc1C
Show InChI InChI=1S/C18H22N4O3S/c1-12-15(4-3-7-20-12)25-16-10-14(26-13-5-8-24-9-6-13)11-21-17(16)22-18(23)19-2/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H2,19,21,22,23)
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 233n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
Hexokinase-4


(Homo sapiens (Human))		BDBM50025825
PNG
(CHEMBL3338056)
Show SMILES CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC=O
Show InChI InChI=1S/C18H16N4O2S/c1-2-14-15(6-5-9-19-14)24-16-10-13(11-21-18(16)22-12-23)25-17-7-3-4-8-20-17/h3-12H,2H2,1H3,(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a 4.14E+4n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Activation of purified human glucokinase isoform 3 (13 to 466 aa) using 5 mM glucose by spectrophotometry in presence of NAD+ and glucose 6-phosphate...

J Med Chem 57: 8180-6 (2014)


Article DOI: 10.1021/jm501204z
BindingDB Entry DOI: 10.7270/Q2BK1DX1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%