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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50040042   
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
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50388392
PNG
(CHEMBL2058262)
Show SMILES CC(CN1C(=O)S\C(=C/c2ccc(O)c(c2)C(F)(F)F)C1=O)(CC(F)(F)F)CC(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c1-15(6-16(19,20)21,7-17(22,23)24)8-28-13(30)12(32-14(28)31)5-9-2-3-11(29)10(4-9)18(25,26)27/h2-5,29H,6-8H2,1H3/b12-5-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of GLUT1 mediated [3H]-2-DG uptake in human LNCAP cells after 30 mins by scintillation counting


J Med Chem 55: 3827-36 (2012)


Article DOI: 10.1021/jm300015m
BindingDB Entry DOI: 10.7270/Q26H4JG2
More data for this
Ligand-Target Pair
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50388391
PNG
(CHEMBL2057965)
Show SMILES CCC(CC)CN1C(=O)S\C(=C/c2ccc(O)c(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C17H18F3NO3S/c1-3-10(4-2)9-21-15(23)14(25-16(21)24)8-11-5-6-13(22)12(7-11)17(18,19)20/h5-8,10,22H,3-4,9H2,1-2H3/b14-8-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of GLUT1 mediated [3H]-2-DG uptake in human LNCAP cells after 30 mins by scintillation counting


J Med Chem 55: 3827-36 (2012)


Article DOI: 10.1021/jm300015m
BindingDB Entry DOI: 10.7270/Q26H4JG2
More data for this
Ligand-Target Pair