BDBM50084419 Andrographolide::CHEBI:65408

SMILES [H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO

InChI Key InChIKey=BOJKULTULYSRAS-OTESTREVSA-N

Data  5 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50084419   

TargetNuclear factor NF-kappa-B p105 subunit(Homo sapiens (Human))
National University Of Singapore

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Affinity DataIC50:  4.96E+4nMAssay Description:Inhibition of TNF-alpha-stimulated NF-kappaB p50 (unknown origin) expressed in HEK293 cells preincubated for 4 hrs followed by TNF-alpha challenge me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Mahidol University

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of C-terminal His 6 tagged SARS CoV-2 main protease transfected in Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetHexokinase-2(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of recombinant human HK2 expressed in Escherichia coli BL21(DE3) using glucose as substrate preincubated for 10 mins followed by substrate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Institute Of Higher Learning

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Affinity DataIC50:  9.70E+3nMAssay Description:Antagonist activity at Gal4 DBD-fused human FXR LBD expressed in human HepG2 cells after 8 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Institute Of Higher Learning

Curated by ChEMBL
LigandPNGBDBM50084419(Andrographolide | CHEBI:65408)
Affinity DataIC50:  9.70E+3nMAssay Description:Antagonist activity at FXR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed