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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50053955'   
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))
BDBM50053955
PNG
(CHEMBL3319562)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2[nH]ncc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F6N7O3S/c25-23(26,27)22(38,24(28,29)30)16-10-18(14-1-3-19-15(9-14)11-34-35-19)21(33-12-16)36-5-7-37(8-6-36)41(39,40)17-2-4-20(31)32-13-17/h1-4,9-13,38H,5-8H2,(H2,31,32)(H,34,35)
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UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 60n/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))
BDBM50053955
PNG
(CHEMBL3319562)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2[nH]ncc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F6N7O3S/c25-23(26,27)22(38,24(28,29)30)16-10-18(14-1-3-19-15(9-14)11-34-35-19)21(33-12-16)36-5-7-37(8-6-36)41(39,40)17-2-4-20(31)32-13-17/h1-4,9-13,38H,5-8H2,(H2,31,32)(H,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.63E+3n/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