BDBM50618516 CHEMBL5427912

SMILES [H][C@@]12CC[C@]3(Cc4c(C[C@@]3([H])N1CCc1c2[nH]c2ccccc12)[nH]c1ccc(OC)cc41)OC

InChI Key InChIKey=RGWTYAOYPDDREZ-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50618516   

TargetReplicase polyprotein 1ab(2019-nCoV)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50618516(CHEMBL5427912)
Affinity DataIC50: 91nMAssay Description:Inhibition of recombinant SARS CoV-2 PL protease incubated for 2 hrs followed by substrate addition and measured after 1 hr by fluorescence based ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50618516(CHEMBL5427912)
Affinity DataIC50: 3.90E+5nMAssay Description:Inhibition of recombinant SARS CoV-2 PL protease assessed as deubiquitination activity using ubiquitinated fluorogenic as substrate incubated for 2 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50618516(CHEMBL5427912)
Affinity DataIC50: 1.00E+7nMAssay Description:Inhibition of human CYP2C9 measured after 30 mins in presence of NADPH by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50618516(CHEMBL5427912)
Affinity DataIC50: 1.00E+7nMAssay Description:Inhibition of human CYP3A4 using midazolam as substrate measured after 30 mins in presence of NADPH by UPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50618516(CHEMBL5427912)
Affinity DataIC50: 1.00E+7nMAssay Description:Inhibition of human CYP2D6 measured after 40 mins in presence of NADPH by fluorescence based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed