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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 = 'BDBM50009115'   
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))
BDBM50009115
PNG
(CHEMBL3237980)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](O)(CO)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1/C21H23F3N4O4S/c1-2-3-17-13-27(33(31,32)18-8-9-19(25)26-12-18)10-11-28(17)16-6-4-15(5-7-16)20(30,14-29)21(22,23)24/h4-9,12,17,29-30H,10-11,13-14H2,1H3,(H2,25,26)/t17-,20+/s2
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UniProtKB/SwissProt

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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotin-tagged human GKRP/fluorescein-tagged GK interaction preincubated for 20 mins prior to GK addition measured after 2 to 4 hrs by A...


J Med Chem 57: 3094-116 (2014)


Article DOI: 10.1021/jm5000497
BindingDB Entry DOI: 10.7270/Q2V126BF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucokinase regulatory protein


(Mus musculus)
BDBM50009115
PNG
(CHEMBL3237980)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(cc1)[C@](O)(CO)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1
Show InChI InChI=1/C21H23F3N4O4S/c1-2-3-17-13-27(33(31,32)18-8-9-19(25)26-12-18)10-11-28(17)16-6-4-15(5-7-16)20(30,14-29)21(22,23)24/h4-9,12,17,29-30H,10-11,13-14H2,1H3,(H2,25,26)/t17-,20+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 98n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of GKRP-GK interaction in mouse hepatocytes assessed as induction of GK translocation from nucleus to cytoplasm incubated for 20 mins prio...


J Med Chem 57: 3094-116 (2014)


Article DOI: 10.1021/jm5000497
BindingDB Entry DOI: 10.7270/Q2V126BF
More data for this
Ligand-Target Pair