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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50053966'   
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
Hexokinase-4


(Homo sapiens (Human))
BDBM50053966
PNG
(CHEMBL3319560)
Show SMILES CN1C(=O)Cc2cc(ccc12)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F6N6O4S/c1-36-20-4-2-15(10-16(20)11-22(36)39)19-12-17(24(40,25(27,28)29)26(30,31)32)13-35-23(19)37-6-8-38(9-7-37)43(41,42)18-3-5-21(33)34-14-18/h2-5,10,12-14,40H,6-9,11H2,1H3,(H2,33,34)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP compound incubated for 20 mins prior to addition of fluorescein...


J Med Chem 57: 5949-64 (2014)


Article DOI: 10.1021/jm5001979
BindingDB Entry DOI: 10.7270/Q2J67JJ3
More data for this
Ligand-Target Pair
Hexokinase-4


(Mus musculus (Mouse))
BDBM50053966
PNG
(CHEMBL3319560)
Show SMILES CN1C(=O)Cc2cc(ccc12)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F6N6O4S/c1-36-20-4-2-15(10-16(20)11-22(36)39)19-12-17(24(40,25(27,28)29)26(30,31)32)13-35-23(19)37-6-8-38(9-7-37)43(41,42)18-3-5-21(33)34-14-18/h2-5,10,12-14,40H,6-9,11H2,1H3,(H2,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 234n/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Induction of GK translocation from nucleus to cytoplasm of mouse hepatocytes preincubated for 20 mins followed by glucose challenge measured after 40...


J Med Chem 57: 5949-64 (2014)


Article DOI: 10.1021/jm5001979
BindingDB Entry DOI: 10.7270/Q2J67JJ3
More data for this
Ligand-Target Pair