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PDB code 4MSU

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits 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
Glucokinase regulatory protein

  (625/625 = 100%)
(Homo sapiens)
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotin-tagged human GKRP-fluorescein-tagged human GK interaction preincubated for 20 mins followed by fluorescein-tagged human GK addit...


J Med Chem 57: 309-24 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucokinase regulatory protein

  (625/625 = 100%)
(Homo sapiens)
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
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n/an/an/a 240n/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GKRP (unknown origin) by surface plasmon resonance analysis


J Med Chem 57: 309-24 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucokinase regulatory protein

  (553/618 = 89%)
(Rattus norvegicus)
BDBM50447286
PNG
(CHEMBL3113992)
Show SMILES OC(c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H16F6N2O3S2/c18-16(19,20)15(26,17(21,22)23)12-3-5-13(6-4-12)24-7-9-25(10-8-24)30(27,28)14-2-1-11-29-14/h1-6,11,26H,7-10H2
PDB
MMDB

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Article
PubMed
n/an/an/an/a 3.64E+3n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GKRP-GK interaction in rat primary hepatocytes assessed as translocation of GK from nucleus to cytoplasm preincubated for 20 mins follo...


J Med Chem 57: 309-24 (2014)

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