BDBM50612273 BALOXAVIR::Baloxavir::S-033447::US12161646, Example S-033188A

SMILES c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O

InChI Key InChIKey=FIDLLEYNNRGVFR-UHFFFAOYSA-N

Data  6 IC50  1 Kd  2 EC50

PDB links: 10 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50612273   

TargetPolymerase acidic protein(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
South China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scint...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPolymerase acidic protein(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
South China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataKd:  208nMAssay Description:Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPolymerase acidic protein(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
South China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPolymerase acidic protein(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
South China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataIC50: 8.16E+3nMAssay Description:Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B cells assessed as incorporation of 3H signal in the product after 25 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPolymerase acidic protein(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
South China Agricultural University

Curated by ChEMBL
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of Influenza A virus CENMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetRNA-directed RNA polymerase catalytic subunit/Polymerase basic protein 1/Polymerase basic protein 2(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Jiaxing Andicon Biotech Co.

US Patent
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataIC50: 1.14nMAssay Description:2.5 μL of enzymatic reaction mixture (composition: 53 mM Tris hydrochloride (pH 7.8), 1 mM MgCl2, 1.25 mM dithiothreitol, 80 mM NaCl, 12.5% glycerol,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetRNA-directed RNA polymerase catalytic subunit/Polymerase basic protein 1/Polymerase basic protein 2(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Jiaxing Andicon Biotech Co.

US Patent
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataEC50:  0.680nMAssay Description:MDCK cells were seeded in a 96-well cell culture plate, and cultured till cell attachment for later use. The drug was serially 3 times diluted from 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetRNA-directed RNA polymerase catalytic subunit/Polymerase basic protein 1/Polymerase basic protein 2(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Jiaxing Andicon Biotech Co.

US Patent
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataIC50: 2.01nMAssay Description:2.5 μL of enzymatic reaction mixture (composition: 53 mM Tris hydrochloride (pH 7.8), 1 mM MgCl2, 1.25 mM dithiothreitol, 80 mM NaCl, 12.5% glycerol,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetRNA-directed RNA polymerase catalytic subunit/Polymerase basic protein 1/Polymerase basic protein 2(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Jiaxing Andicon Biotech Co.

US Patent
LigandPNGBDBM50612273(BALOXAVIR | Baloxavir | S-033447 | US12161646, Exa...)
Affinity DataEC50:  1.22nMAssay Description:MDCK cells were seeded in a 96-well cell culture plate, and cultured till cell attachment for later use. The drug was serially 3 times diluted from 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)