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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50053969'   
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))
BDBM50053969
PNG
(CHEMBL3319561)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2NC(=O)Cc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H22F6N6O4S/c26-24(27,28)23(39,25(29,30)31)16-11-18(14-1-3-19-15(9-14)10-21(38)35-19)22(34-12-16)36-5-7-37(8-6-36)42(40,41)17-2-4-20(32)33-13-17/h1-4,9,11-13,39H,5-8,10H2,(H2,32,33)(H,35,38)
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 33n/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))
BDBM50053969
PNG
(CHEMBL3319561)
Show SMILES Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1ccc2NC(=O)Cc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H22F6N6O4S/c26-24(27,28)23(39,25(29,30)31)16-11-18(14-1-3-19-15(9-14)10-21(38)35-19)22(34-12-16)36-5-7-37(8-6-36)42(40,41)17-2-4-20(32)33-13-17/h1-4,9,11-13,39H,5-8,10H2,(H2,32,33)(H,35,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 309n/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