BDBM50568789 Hypocrellin A::Rel-Hypocrellin A

SMILES COc1cc(O)c2c3c1c1c(OC)cc(O)c4c1c1c([C@@H](C(C)=O)[C@@](C)(O)Cc(c(OC)c2=O)c31)c(OC)c4=O

InChI Key InChIKey=BQJKVFXDDMQLBE-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50568789   

TargetSpike glycoprotein(2019-nCoV)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50568789(Hypocrellin A | Rel-Hypocrellin A)
Affinity DataIC50: 38nMAssay Description:Inhibition of spike glycoprotein S in SARS-CoV-2 pseudovirus infected in human 293T/ACE2 cells assessed as inhibition of viral infection pretreated t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetSpike glycoprotein(2019-nCoV)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50568789(Hypocrellin A | Rel-Hypocrellin A)
Affinity DataKd:  38nMAssay Description:Binding affinity to SARS-CoV-2 spike glycoprotein S RBD at 25 degreeC by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed