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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 (FBPase)' and Ligand = 'BDBM3556'   
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 (FBPase)


(Homo sapiens (Human))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.


Bioorg Med Chem Lett 11: 17-21 (2001)


BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1 (FBPase)


(Sus scrofa (Pig))
BDBM3556
PNG
(4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its concentration required to inhibit the porcine kidney F16BPase


Bioorg Med Chem Lett 11: 17-21 (2001)


BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair