BDBM50252422 CHEBI:63672::CHEMBL498917

SMILES COc1cc(O)cc(\C=C\c2ccc(O)cc2)c1

InChI Key InChIKey=KUWZXOMQXYWKBS-NSCUHMNNSA-N

Data  2 KI  2 IC50

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 4 hits for monomerid = 50252422   

TargetCytochrome P450 1A1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50252422(CHEBI:63672 | CHEMBL498917)
Affinity DataKi:  130nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50252422(CHEBI:63672 | CHEMBL498917)
Affinity DataKi:  900nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after 15 mins in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50252422(CHEBI:63672 | CHEMBL498917)
Affinity DataIC50:  250nMAssay Description:Inhibition of recombinant human COX-2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))TBA
LigandPNGBDBM50252422(CHEBI:63672 | CHEMBL498917)
Affinity DataIC50:  4.01E+3nMAssay Description:Inhibition of recombinant human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after ...More data for this Ligand-Target Pair
In DepthDetails PubMed