BDBM50504454 CHEMBL4593275

SMILES [O-][N+](=O)\C=C\c1ccc(cc1)C#N

InChI Key InChIKey=CVWPMONBGNBYCJ-UHFFFAOYSA-N

Data  15 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50504454   

TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 340nMAssay Description:Inhibition of human FBPase C92S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye ba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of human FBPase D127A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human FBPase S124A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 610nMAssay Description:Inhibition of human FBPase C281S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 440nMAssay Description:Inhibition of human FBPase C183S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 490nMAssay Description:Inhibition of human FBPase C38S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye ba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataKd:  5.40E+4nMAssay Description:Binding affinity to human FBPase expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant at 100 uM by UV-visible spectroscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human FBPase R254A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 680nMAssay Description:Inhibition of human FBPase R243A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 430nMAssay Description:Inhibition of human FBPase C179S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 330nMAssay Description:Inhibition of human FBPase C116S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 360nMAssay Description:Inhibition of human FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrop...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human FBPase N125A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 3.50E+5nMAssay Description:Inhibition of human FBPase C128S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human FBPase Y258A mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetFructose-1,6-bisphosphatase 1(Human)
International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL
LigandPNGBDBM50504454(CHEMBL4593275)
Affinity DataIC50: 360nMAssay Description:Inhibition of human wild type FBPase expressed in Escherichia coli BL12 (DE3) by malachite green methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed