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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 = 'BDBM50305559'   
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))
BDBM50305559
PNG
(CHEMBL594445 | N-(5-bromothiazol-2-ylcarbamoyl)-5-...)
Show SMILES Clc1ccc(s1)S(=O)(=O)NC(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C8H5BrClN3O3S3/c9-4-3-11-8(17-4)12-7(14)13-19(15,16)6-2-1-5(10)18-6/h1-3H,(H2,11,12,13,14)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

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))
BDBM50305559
PNG
(CHEMBL594445 | N-(5-bromothiazol-2-ylcarbamoyl)-5-...)
Show SMILES Clc1ccc(s1)S(=O)(=O)NC(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C8H5BrClN3O3S3/c9-4-3-11-8(17-4)12-7(14)13-19(15,16)6-2-1-5(10)18-6/h1-3H,(H2,11,12,13,14)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/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)
BDBM50305559
PNG
(CHEMBL594445 | N-(5-bromothiazol-2-ylcarbamoyl)-5-...)
Show SMILES Clc1ccc(s1)S(=O)(=O)NC(=O)Nc1ncc(Br)s1
Show InChI InChI=1S/C8H5BrClN3O3S3/c9-4-3-11-8(17-4)12-7(14)13-19(15,16)6-2-1-5(10)18-6/h1-3H,(H2,11,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.20E+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