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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fructose-1,6-bisphosphatase 1' and Ligand = 'BDBM50273274'   
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
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273274
PNG
(1-(2-mercaptoethyl)-3-(m-tolylsulfonyl)urea | CHEM...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCS
Show InChI InChI=1S/C10H14N2O3S2/c1-8-3-2-4-9(7-8)17(14,15)12-10(13)11-5-6-16/h2-4,7,16H,5-6H2,1H3,(H2,11,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,6-bisphosphate


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50273274
PNG
(1-(2-mercaptoethyl)-3-(m-tolylsulfonyl)urea | CHEM...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(=O)NCCS
Show InChI InChI=1S/C10H14N2O3S2/c1-8-3-2-4-9(7-8)17(14,15)12-10(13)11-5-6-16/h2-4,7,16H,5-6H2,1H3,(H2,11,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.05E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase


Bioorg Med Chem Lett 18: 4708-12 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.103
BindingDB Entry DOI: 10.7270/Q26W99W7
More data for this
Ligand-Target Pair