BindingDB logo
myBDB logout

PDB code 4DCH

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (451/465 = 97%)
(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=1/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
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV

  (451/465 = 97%)
(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=1/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
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV

  (465/465 = 100%)
(Homo sapiens (Human))
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=1/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

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 2.67E+4n/an/an/an/a



Chinese Academy of Medical Sciences& Peking Union Medical College

Curated by ChEMBL


Assay Description
Activation of glucokinase (unknown origin) using glucose as substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV

  (465/465 = 100%)
(Homo sapiens (Human))
BDBM50346020
PNG
((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1/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)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 500n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Activation of glucokinase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV

  (465/465 = 100%)
(Homo sapiens (Human))
BDBM50346020
PNG
((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1/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)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
n/an/an/a 500n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant wild-type human pancreatic glucokinase expressed in Escherichia coli K-12 by isothermal titration calorimetry in pres...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV

  (465/465 = 100%)
(Homo sapiens (Human))
BDBM50346020
PNG
((2R)-3-Cyclopentyl-2-(4-methanesulfonylphenyl)-N-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CC1CCCC1)C(=O)Nc1nccs1 |r|
Show InChI InChI=1/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)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/an/an/a 690n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant glucokinase using 6.5 mM glucose by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output