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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Fructose-1,6-bisphosphatase 1' and Ligand = 'BDBM50305574'   
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))
BDBM50305574
PNG
(CHEMBL590840 | N-(5-bromothiazol-2-ylcarbamoyl)-1-...)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)NC(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C13H11BrN4O3S2/c1-18-7-10(8-4-2-3-5-9(8)18)23(20,21)17-12(19)16-13-15-6-11(14)22-13/h2-7H,1H3,(H2,15,16,17,19)
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PC sid
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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate


Bioorg Med Chem Lett 20: 594-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.093
BindingDB Entry DOI: 10.7270/Q27H1JPX
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50305574
PNG
(CHEMBL590840 | N-(5-bromothiazol-2-ylcarbamoyl)-1-...)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)NC(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C13H11BrN4O3S2/c1-18-7-10(8-4-2-3-5-9(8)18)23(20,21)17-12(19)16-13-15-6-11(14)22-13/h2-7H,1H3,(H2,15,16,17,19)
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 390n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of FBPase in human liver


Bioorg Med Chem Lett 20: 594-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.093
BindingDB Entry DOI: 10.7270/Q27H1JPX
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Mus musculus)
BDBM50305574
PNG
(CHEMBL590840 | N-(5-bromothiazol-2-ylcarbamoyl)-1-...)
Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)NC(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C13H11BrN4O3S2/c1-18-7-10(8-4-2-3-5-9(8)18)23(20,21)17-12(19)16-13-15-6-11(14)22-13/h2-7H,1H3,(H2,15,16,17,19)
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Article
PubMed
n/an/an/an/a 1.40E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of FBPase in mouse liver


Bioorg Med Chem Lett 20: 594-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.093
BindingDB Entry DOI: 10.7270/Q27H1JPX
More data for this
Ligand-Target Pair