BDBM50065387 CHEBI:78886::E319

SMILES CC(C)(C)c1cc(ccc1O)O

InChI Key InChIKey=BGNXCDMCOKJUMV-UHFFFAOYSA-N

Data  1 IC50  3 EC50

PDB links: 3 PDB IDs match this monomer.

  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 6 hits for monomerid = 50065387   

LigandPNGBDBM50065387(CHEBI:78886 | E319)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of [3H]-BTZO-1 binding to recombinant human C-terminal His-tagged MIF expressed in Escherichia coli BL21 (DE3) measured after 3 hrs by SPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50065387(CHEBI:78886 | E319)
Affinity DataEC50:  2.00E+3nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50065387(CHEBI:78886 | E319)
Affinity DataEC50:  1.26E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetMacrophage migration inhibitory factor(Rattus norvegicus)TBA
LigandPNGBDBM50065387(CHEBI:78886 | E319)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of recombinant rat MIF expressed in Escherichia coli BL21 (DE3) assessed as reduction in tautomerase activity using L-dopachrome carboxy-m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetTyrosinase(Human)
Gansu College of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50065387(CHEBI:78886 | E319)
Affinity DataIC50: 5.42E+4nMAssay Description:Inhibition of tyrosinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2016
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50065387(CHEBI:78886 | E319)
Affinity DataEC50:  9.15E+4nMAssay Description:Induction of Nrf2-mediated ARE activity in human HepG2-ARE-C8 cells after 12 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMed