BDBM50110164 (Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid::2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid::CHEMBL18797::SULINDAC SULFIDE::Sulindac sulphide::[6-Fluoro-2-methyl-3-(4-methylsulfanyl-benzylidene)-3H-inden-1-yl]-acetic acid::cid_5352624::{6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-meth-(E)-ylidene]-3H-inden-1-yl}-acetic acid::{6-Fluoro-2-methyl-3-[1-[4-(methyl-lambda*4*-sulfanyl)-phenyl]-meth-(E)-ylidene]-3H-inden-1-yl}-acetic acid

SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1

InChI Key InChIKey=LFWHFZJPXXOYNR-MFOYZWKCSA-N

Data  8 KI  10 IC50  10 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 10 hits for monomerid = 50110164   

TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  100nMAssay Description:Inhibition of human recombinant COX2 after 5 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  50nMAssay Description:Inhibition of ovine COX1 after 5 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  115nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  140nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPresenilin-1(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  2.15E+5nMAssay Description:Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production by luciferase...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPresenilin-1(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  8.25E+4nMAssay Description:Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 42 production by luciferase...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPresenilin-1(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  5.30E+4nMAssay Description:Inhibition of gamma-secretase in HEK293 cells co-overexpressing NotchdeltaE assessed as inhibition of notch cleavage by luciferase reporter gene assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPresenilin-1(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  3.32E+5nMAssay Description:Displacement of [3H]IN973 from gamma-secretase in human THP1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPresenilin-1(Homo sapiens (Human))
Okayama University Graduate School of Medicine

Curated by ChEMBL
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  5.71E+4nMAssay Description:Displacement of [3H]L685458 from gamma-secretase in human THP1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
St. Bartholomew'S and The Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database
LigandPNGBDBM50110164((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by microplate reader...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed