BDBM50117957 CHEMBL123678::{4-[3-(6,7-Diethoxy-quinazolin-4-ylamino)-phenyl]-thiazol-2-yl}-methanol

SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3csc(CO)n3)c2cc1OCC

InChI Key InChIKey=ZJESXGUODSBHSK-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50117957   

TargetFructose-1,6-bisphosphatase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50117957(CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...)
Affinity DataIC50:  2.90E+3nMAssay Description:Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln55His) enzyme using malachite green as...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50117957(CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...)
Affinity DataIC50:  340nMAssay Description:Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat double mutant (Gln50Lys Gln55His) enzyme using malachite...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50117957(CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...)
Affinity DataIC50: >1.00E+4nMAssay Description:Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat single mutant (Gln50Lys) enzyme using malachite green as...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Rattus norvegicus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50117957(CHEMBL123678 | {4-[3-(6,7-Diethoxy-quinazolin-4-yl...)
Affinity DataIC50: >1.00E+4nMAssay Description:Concentration required for 50% Inhibition against (F16BP) Fructose-1,6-bisphosphatase in rat wild type enzyme using malachite green assayMore data for this Ligand-Target Pair