BDBM50598993 CHEMBL5191374

SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2cccs2)[C@H]1NC(C)=O)C(O)=O

InChI Key InChIKey=AEQWUSSTTYLLFR-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50598993   

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

Curated by ChEMBL
LigandPNGBDBM50598993(CHEMBL5191374)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of Influenza A virus A/PR/8/1934 (H1N1) neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate addition an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetIntegrase(Human immunodeficiency virus type 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598993(CHEMBL5191374)
Affinity DataIC50: 510nMAssay Description:Inhibition of Influenza A virus A/California/04/2009 (H1N1) Neuraminidase H274Y mutant using MUNANA as substrate preincubated for 10 mins followed by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598993(CHEMBL5191374)
Affinity DataIC50: 2.07E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598993(CHEMBL5191374)
Affinity DataIC50: 4.16E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598993(CHEMBL5191374)
Affinity DataIC50: 3.03E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598993(CHEMBL5191374)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598993(CHEMBL5191374)
Affinity DataIC50: 8.76E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in the presence of NADPH by high performance liquid chromatography-tandem mass s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed