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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 = 'BDBM50448563'   
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))
BDBM50448563
PNG
(CHEMBL3127347)
Show SMILES OC(c1ccc(cc1)N1CCN(C[C@@H]1CC1CCOCC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H26F6N2O4S2/c24-22(25,26)21(32,23(27,28)29)17-3-5-18(6-4-17)31-10-9-30(37(33,34)20-2-1-13-36-20)15-19(31)14-16-7-11-35-12-8-16/h1-6,13,16,19,32H,7-12,14-15H2/t19-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/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)
BDBM50448563
PNG
(CHEMBL3127347)
Show SMILES OC(c1ccc(cc1)N1CCN(C[C@@H]1CC1CCOCC1)S(=O)(=O)c1cccs1)(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H26F6N2O4S2/c24-22(25,26)21(32,23(27,28)29)17-3-5-18(6-4-17)31-10-9-30(37(33,34)20-2-1-13-36-20)15-19(31)14-16-7-11-35-12-8-16/h1-6,13,16,19,32H,7-12,14-15H2/t19-/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 5.47E+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