BDBM50185449 (-)-panduratin A::CHEMBL379110::panduratin A

SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](-[#6])=[#6]-[#6]-[#6@H]-2-c2ccccc2)c(-[#8])c1

InChI Key InChIKey=SPDRBCIWFINSPI-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50185449   

TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50185449(panduratin A | (-)-panduratin A | CHEMBL379110)
Affinity DataIC50: 57nMAssay Description:Inhibition of DENV2 NS2B-NS3 protease using Boc-Gly-Arg-7-amino-4-methylcoumarin as substrate preincubated for 10 mins followed by substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50185449(panduratin A | (-)-panduratin A | CHEMBL379110)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of dengue2 virus NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2012
Entry Details Article
PubMed