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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucokinase regulatory protein' and Ligand = 'BDBM50448560'   
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


(Homo sapiens (Human))
BDBM50448560
PNG
(CHEMBL3127351)
Show SMILES C[C@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CC1CCOCC1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F3N2O4S2/c1-22(29,23(24,25)26)18-4-6-19(7-5-18)28-11-10-27(34(30,31)21-3-2-14-33-21)16-20(28)15-17-8-12-32-13-9-17/h2-7,14,17,20,29H,8-13,15-16H2,1H3/t20-,22-/m0/s1
PDB
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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)


Article DOI: 10.1021/jm4016735
BindingDB Entry DOI: 10.7270/Q2KW5HJ4
More data for this
Ligand-Target Pair
Glucokinase regulatory protein


(Rattus norvegicus)
BDBM50448560
PNG
(CHEMBL3127351)
Show SMILES C[C@](O)(c1ccc(cc1)N1CCN(C[C@@H]1CC1CCOCC1)S(=O)(=O)c1cccs1)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F3N2O4S2/c1-22(29,23(24,25)26)18-4-6-19(7-5-18)28-11-10-27(34(30,31)21-3-2-14-33-21)16-20(28)15-17-8-12-32-13-9-17/h2-7,14,17,20,29H,8-13,15-16H2,1H3/t20-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 4.76E+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)


Article DOI: 10.1021/jm4016735
BindingDB Entry DOI: 10.7270/Q2KW5HJ4
More data for this
Ligand-Target Pair