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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 = 'BDBM50303877'   
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))
BDBM50303877
PNG
(4-Amino-7-(4-methylpentyl)-5-fluoro-1-isobutyl-2-[...)
Show SMILES CC(C)CCCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12
Show InChI InChI=1S/C21H29FN3O4P/c1-12(2)6-5-7-14-10-15(22)18(23)19-20(14)25(11-13(3)4)21(24-19)16-8-9-17(29-16)30(26,27)28/h8-10,12-13H,5-7,11,23H2,1-4H3,(H2,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/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)
BDBM50303877
PNG
(4-Amino-7-(4-methylpentyl)-5-fluoro-1-isobutyl-2-[...)
Show SMILES CC(C)CCCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12
Show InChI InChI=1S/C21H29FN3O4P/c1-12(2)6-5-7-14-10-15(22)18(23)19-20(14)25(11-13(3)4)21(24-19)16-8-9-17(29-16)30(26,27)28/h8-10,12-13H,5-7,11,23H2,1-4H3,(H2,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+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