BDBM50601844 CHEMBL5181864

SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3sc4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O

InChI Key InChIKey=HLHDCHXBXBBXLH-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50601844   

TargetNeuraminidase(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50601844(CHEMBL5181864)
Affinity DataIC50: 0.730nMAssay Description:Inhibition of Influenza A virus A/PR/8/1934 (H1N1) neuraminidase using 2(4-methylurnbellifery1)-a-u-acetyl neuraminic acid sodium salt hydrate (4-MUN...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50601844(CHEMBL5181864)
Affinity DataIC50: 8.94E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50601844(CHEMBL5181864)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50601844(CHEMBL5181864)
Affinity DataIC50: 5.89E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50601844(CHEMBL5181864)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4M in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50601844(CHEMBL5181864)
Affinity DataIC50: 6.08E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes incubated for 20 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed