BDBM50481949 Dihydrocelastrol::acs.jmedchem.1c00409_ST.616

SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CCc4c(C)c(O)c(O)cc4[C@]3(C)CC[C@@]21C)C(O)=O

InChI Key InChIKey=WZAUFGYINZYCKH-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  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 3 hits for monomerid = 50481949   

TargetReplicase polyprotein 1ab(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50481949(Dihydrocelastrol | acs.jmedchem.1c00409_ST.616)
Affinity DataIC50: 2.17E+4nMAssay Description:Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetNuclear receptor subfamily 4 group A member 1(Human)
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50481949(Dihydrocelastrol | acs.jmedchem.1c00409_ST.616)
Affinity DataKd:  870nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged Nur77 LBD (367 to 598 residues) expressed in Escherichia coli BL21(DE3) incubated for 30 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM50481949(Dihydrocelastrol | acs.jmedchem.1c00409_ST.616)
Affinity DataIC50: 2.17E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed