new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 66 hits of ec50 for UniProtKB: P17712   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase type IV


(Rattus norvegicus)
BDBM50239048
PNG
(CHEMBL4067028)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239049
PNG
(CHEMBL4086782)
Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.70n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239045
PNG
(CHEMBL4083339)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.5n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239045
PNG
(CHEMBL4083339)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239046
PNG
(CHEMBL4068048)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.90n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239046
PNG
(CHEMBL4068048)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 5.20n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239047
PNG
(CHEMBL4078915)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 7.20n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239048
PNG
(CHEMBL4067028)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 7.5n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239044
PNG
(CHEMBL4104680)
Show SMILES COC(=O)c1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 7.80n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239040
PNG
(CHEMBL4086771)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239044
PNG
(CHEMBL4104680)
Show SMILES COC(=O)c1ccc(nc1)-c1cc2cc(Oc3ccc(nc3)S(C)(=O)=O)c(cc2[nH]1)C1CCC(=O)N1C
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239040
PNG
(CHEMBL4086771)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239043
PNG
(CHEMBL4067037)
Show SMILES CCOC(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239047
PNG
(CHEMBL4078915)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
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 |r|
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 26n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Induction of glucokinase-mediated 2-deoxy-D-[3H]glucose uptake in Sprague-Dawley rat hepatocytes after 4 hrs by liquid scintillation countingl


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


(Rattus norvegicus)
BDBM50239048
PNG
(CHEMBL4067028)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239046
PNG
(CHEMBL4068048)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239040
PNG
(CHEMBL4086771)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239046
PNG
(CHEMBL4068048)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(C)(C)O
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 38n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239040
PNG
(CHEMBL4086771)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ncc(C)s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 77n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239048
PNG
(CHEMBL4067028)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 93n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50394682
PNG
(CHEMBL2165619)
Show SMILES Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C18H21F3N4O/c1-12-6-7-16(22-9-12)24-17(26)14(8-13-4-2-3-5-13)25-10-15(23-11-25)18(19,20)21/h6-7,9-11,13-14H,2-5,8H2,1H3,(H,22,24,26)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 153n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of glucokinase in rat INS-1 cells assessed as stimulation of glucose-induced insulin secretion


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239049
PNG
(CHEMBL4086782)
Show SMILES CCS(=O)(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 174n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of cGMP PDE II enzyme


Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50394681
PNG
(CHEMBL2165620)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(c2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 190n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Rattus norvegicus)
BDBM50239045
PNG
(CHEMBL4083339)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 199n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239043
PNG
(CHEMBL4067037)
Show SMILES CCOC(=O)c1ccc(Oc2cc3cc([nH]c3cc2C2CCC(=O)N2C)-c2ccc(cn2)C(F)(F)F)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 232n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239047
PNG
(CHEMBL4078915)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 247n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161691
PNG
(CHEMBL180172 | N-{3-[3-(5-Chloro-thiazol-2-yl)-1-c...)
Show SMILES CC(=O)Nc1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C18H21ClN4O2S/c1-12(24)21-14-7-4-8-15(9-14)23(11-13-5-2-3-6-13)18(25)22-17-20-10-16(19)26-17/h4,7-10,13H,2-3,5-6,11H2,1H3,(H,21,24)(H,20,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 300n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50401849
PNG
(CHEMBL2204663)
Show SMILES CCn1cc2c(Oc3cnc(C(=O)N4CCC4)c(F)c3)cc(cc2n1)C(=O)Nc1cnc(C)cn1
Show InChI InChI=1S/C24H22FN7O3/c1-3-32-13-17-19(30-32)7-15(23(33)29-21-12-26-14(2)10-27-21)8-20(17)35-16-9-18(25)22(28-11-16)24(34)31-5-4-6-31/h7-13H,3-6H2,1-2H3,(H,27,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 350n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant rat glucokinase assessed measuring rate of glucose 6-phosphate formation using G6PDH/NADP coupling


Bioorg Med Chem Lett 22: 7100-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.082
BindingDB Entry DOI: 10.7270/Q2GM88H7
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239045
PNG
(CHEMBL4083339)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1ccc(cn1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 375n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161692
PNG
(1-(3-Chloro-4-methyl-phenyl)-3-(5-chloro-thiazol-2...)
Show SMILES Cc1ccc(cc1Cl)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H19Cl2N3OS/c1-11-6-7-13(8-14(11)18)22(10-12-4-2-3-5-12)17(23)21-16-20-9-15(19)24-16/h6-9,12H,2-5,10H2,1H3,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161695
PNG
(1-(4-Bromo-3-fluoro-phenyl)-3-(5-chloro-thiazol-2-...)
Show SMILES Fc1cc(ccc1Br)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H16BrClFN3OS/c17-12-6-5-11(7-13(12)19)22(9-10-3-1-2-4-10)16(23)21-15-20-8-14(18)24-15/h5-8,10H,1-4,9H2,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 700n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239042
PNG
(CHEMBL4094511)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(cc1)C(O)=O)-c1ccc(cn1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 728n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50394684
PNG
(CHEMBL2165615)
Show SMILES CN(C)C(=O)c1ncc(Oc2cc(cc3oc(C)cc23)C(=O)Nc2cnc(C)cn2)cn1
Show InChI InChI=1S/C22H20N6O4/c1-12-8-24-19(11-23-12)27-21(29)14-6-17-16(5-13(2)31-17)18(7-14)32-15-9-25-20(26-10-15)22(30)28(3)4/h5-11H,1-4H3,(H,24,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 900n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Induction of glucokinase translocation from nucleus to cytoplasm in cryopreserved rat hepatocytes after 1 hr by Hoechst staining-based fluorescence m...


J Med Chem 55: 1318-33 (2012)


Article DOI: 10.1021/jm2014887
BindingDB Entry DOI: 10.7270/Q2NG4RRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Rattus norvegicus)
BDBM50161674
PNG
(3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiaz...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 15 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Rattus norvegicus)
BDBM50161670
PNG
(3-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...)
Show SMILES NC(=O)c1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H19ClN4O2S/c18-14-9-20-16(25-14)21-17(24)22(10-11-4-1-2-5-11)13-7-3-6-12(8-13)15(19)23/h3,6-9,11H,1-2,4-5,10H2,(H2,19,23)(H,20,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161686
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4...)
Show SMILES FC(F)(F)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H17ClF3N3OS/c18-14-9-22-15(26-14)23-16(25)24(10-11-3-1-2-4-11)13-7-5-12(6-8-13)17(19,20)21/h5-9,11H,1-4,10H2,(H,22,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161682
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(3...)
Show SMILES COc1cccc(c1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H20ClN3O2S/c1-23-14-8-4-7-13(9-14)21(11-12-5-2-3-6-12)17(22)20-16-19-10-15(18)24-16/h4,7-10,12H,2-3,5-6,11H2,1H3,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161687
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H20ClN3O3S2/c1-26(23,24)14-8-6-13(7-9-14)21(11-12-4-2-3-5-12)17(22)20-16-19-10-15(18)25-16/h6-10,12H,2-5,11H2,1H3,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239047
PNG
(CHEMBL4078915)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(nc1)S(C)(=O)=O)-c1cnccn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.51E+3n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161677
PNG
(4-[3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-u...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H19ClN4O3S2/c17-14-9-19-15(25-14)20-16(22)21(10-11-3-1-2-4-11)12-5-7-13(8-6-12)26(18,23)24/h5-9,11H,1-4,10H2,(H2,18,23,24)(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161672
PNG
(3-(5-Bromo-thiazol-2-yl)-1-cyclopentylmethyl-1-(6-...)
Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C16H19BrN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50239042
PNG
(CHEMBL4094511)
Show SMILES CN1C(CCC1=O)c1cc2[nH]c(cc2cc1Oc1ccc(cc1)C(O)=O)-c1ccc(cn1)C(F)(F)F
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.11E+3n/an/an/an/a



Merck& Co., Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2069-2073 (2017)


Article DOI: 10.1016/j.bmcl.2016.10.085
BindingDB Entry DOI: 10.7270/Q2DZ0BM6
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161674
PNG
(3-Cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-thiaz...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(CC1CCCC1)C(=O)Nc1nccs1
Show InChI InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

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



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Rattus norvegicus)
BDBM50161679
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-cyano-phenyl)-1-cyc...)
Show SMILES Clc1cnc(NC(=O)N(CC2CCCC2)c2ccc(cc2)C#N)s1
Show InChI InChI=1S/C17H17ClN4OS/c18-15-10-20-16(24-15)21-17(23)22(11-13-3-1-2-4-13)14-7-5-12(9-19)6-8-14/h5-8,10,13H,1-4,11H2,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161690
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(3...)
Show SMILES Fc1ccc(cc1F)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H16ClF2N3OS/c17-14-8-20-15(24-14)21-16(23)22(9-10-3-1-2-4-10)11-5-6-12(18)13(19)7-11/h5-8,10H,1-4,9H2,(H,20,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.60E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161678
PNG
(3-(5-Chloro-thiazol-2-yl)-1-cyclopentylmethyl-1-(6...)
Show SMILES COc1ccc(cn1)N(CC1CCCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H19ClN4O2S/c1-23-14-7-6-12(8-18-14)21(10-11-4-2-3-5-11)16(22)20-15-19-9-13(17)24-15/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.70E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161683
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(CC1CCOCC1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C17H20ClN3O4S2/c1-27(23,24)14-4-2-13(3-5-14)21(11-12-6-8-25-9-7-12)17(22)20-16-19-10-15(18)26-16/h2-5,10,12H,6-9,11H2,1H3,(H,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.90E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161694
PNG
(3-(5-Bromo-thiazol-2-yl)-1-(4-methanesulfonyl-phen...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1ccsc1)C(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C16H14BrN3O3S3/c1-26(22,23)13-4-2-12(3-5-13)20(9-11-6-7-24-10-11)16(21)19-15-18-8-14(17)25-15/h2-8,10H,9H2,1H3,(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.50E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Hexokinase type IV


(Rattus norvegicus)
BDBM50161688
PNG
(3-(5-Chloro-thiazol-2-yl)-1-(4-methanesulfonyl-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N(Cc1cccs1)C(=O)Nc1ncc(Cl)s1
Show InChI InChI=1S/C16H14ClN3O3S3/c1-26(22,23)13-6-4-11(5-7-13)20(10-12-3-2-8-24-12)16(21)19-15-18-9-14(17)25-15/h2-9H,10H2,1H3,(H,18,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.60E+3n/an/an/an/a



OSI Pharmaceuticals

Curated by ChEMBL


Assay Description
Effective concentration for glucokinase activation with 5 mM glucose


Bioorg Med Chem Lett 15: 1501-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.083
BindingDB Entry DOI: 10.7270/Q2HT2NVC
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 66 total )  |  Next  |  Last  >>
Jump to: