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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 = 'BDBM50009105'   
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))
BDBM50009105
PNG
(CHEMBL3238305)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(nc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-3-4-15-13-27(32(30,31)16-6-8-18(24)26-12-16)9-10-28(15)14-5-7-17(25-11-14)19(2,29)20(21,22)23/h5-8,11-12,15,29H,9-10,13H2,1-2H3,(H2,24,26)/t15-,19?/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/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
Glucokinase regulatory protein


(Mus musculus)
BDBM50009105
PNG
(CHEMBL3238305)
Show SMILES CC#C[C@H]1CN(CCN1c1ccc(nc1)C(C)(O)C(F)(F)F)S(=O)(=O)c1ccc(N)nc1 |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-3-4-15-13-27(32(30,31)16-6-8-18(24)26-12-16)9-10-28(15)14-5-7-17(25-11-14)19(2,29)20(21,22)23/h5-8,11-12,15,29H,9-10,13H2,1-2H3,(H2,24,26)/t15-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.45E+3n/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