BDBM50598999 CHEMBL5197351

SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O

InChI Key InChIKey=ZBODECNZYYNPIT-RBZQAINGSA-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 = 50598999   

TargetNeuraminidase(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598999(CHEMBL5197351)
Affinity DataIC50:  0.950nMAssay 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
Ligand InfoPC cidPC sid
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TargetIntegrase(Human immunodeficiency virus 1)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598999(CHEMBL5197351)
Affinity DataIC50:  940nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598999(CHEMBL5197351)
Affinity DataIC50:  1.43E+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
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598999(CHEMBL5197351)
Affinity DataIC50:  7.25E+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
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598999(CHEMBL5197351)
Affinity DataIC50:  3.66E+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
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598999(CHEMBL5197351)
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
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Shandong University

Curated by ChEMBL
LigandPNGBDBM50598999(CHEMBL5197351)
Affinity DataIC50:  3.18E+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
Ligand InfoPC cidPC sid
In DepthDetails PubMed