BDBM50038649 2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acetic acid::CHEMBL300982::Licofelone::ML-3000::[2-(4-Chloro-phenyl)-6,6-dimethyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-acetic acid::[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID

SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1

InChI Key InChIKey=UAWXGRJVZSAUSZ-UHFFFAOYSA-N

Data  30 IC50  1 EC50

PDB links: 2 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 = 50038649   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Homo sapiens (Human))
Bhupat And Jyoti Mehta School Of Biosciences

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  500nMAssay Description:Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Bhupat And Jyoti Mehta School Of Biosciences

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataEC50:  100nMAssay Description:Inhibition of mPGES1 in human A549 cells assessed as reduction in PGE2 productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Bhupat And Jyoti Mehta School Of Biosciences

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  800nMAssay Description:Inhibition of COX-1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Bhupat And Jyoti Mehta School Of Biosciences

Curated by ChEMBL
LigandPNGBDBM50038649(2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of mPGES1 in human HeLa cells assessed as reduction in TNF-alpha induced PGE2 production preincubated for 2 hrs followed by TNF-alpha addi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed