BDBM50618517 CHEMBL5435801

SMILES [H][C@]12COc3ccc4ccccc4c3[C@@]1([H])N=C1SC=C(N1C2(C)C)c1ccc(cc1)S(=O)(=O)N1CCOCC1

InChI Key InChIKey=AGSOCSLLVKCMJG-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50618517   

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

Curated by ChEMBL
LigandPNGBDBM50618517(CHEMBL5435801)
Affinity DataIC50: 120nMAssay 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
TargetCytochrome P450 3A4(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50618517(CHEMBL5435801)
Affinity DataIC50: 1.34E+5nMAssay 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
LigandPNGBDBM50618517(CHEMBL5435801)
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
TargetCytochrome P450 2C9(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50618517(CHEMBL5435801)
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