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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50012361   
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


(Rattus norvegicus)
BDBM50117957
PNG
(CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(CO)n3)c2cc1OCC
Show InChI InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/a 340n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite...


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Rattus norvegicus)
BDBM50117947
PNG
((6,7-Diethoxy-quinazolin-4-yl)-[3-(2-methyl-thiazo...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(C)n3)c2cc1OCC
Show InChI InChI=1S/C22H22N4O2S/c1-4-27-20-10-17-18(11-21(20)28-5-2)23-13-24-22(17)26-16-8-6-7-15(9-16)19-12-29-14(3)25-19/h6-13H,4-5H2,1-3H3,(H,23,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 790n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite...


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair