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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 = 'BDBM50303859'   
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))
BDBM50303859
PNG
(4-Amino-7-bromo-1-isobutyl-2-[2-(5-phosphono)furan...)
Show SMILES CC(C)Cn1c(nc2c(N)ccc(Br)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H17BrN3O4P/c1-8(2)7-19-14-9(16)3-4-10(17)13(14)18-15(19)11-5-6-12(23-11)24(20,21)22/h3-6,8H,7,17H2,1-2H3,(H2,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Rattus norvegicus)
BDBM50303859
PNG
(4-Amino-7-bromo-1-isobutyl-2-[2-(5-phosphono)furan...)
Show SMILES CC(C)Cn1c(nc2c(N)ccc(Br)c12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C15H17BrN3O4P/c1-8(2)7-19-14-9(16)3-4-10(17)13(14)18-15(19)11-5-6-12(23-11)24(20,21)22/h3-6,8H,7,17H2,1-2H3,(H2,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase 1


J Med Chem 53: 441-51 (2010)


Article DOI: 10.1021/jm901420x
BindingDB Entry DOI: 10.7270/Q2N58MFJ
More data for this
Ligand-Target Pair