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-UHFFFAOYSA-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 28 hits for monomerid = 50110164   

TargetRas-related protein Rab-2A(Dog)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetProstaglandin G/H synthase 2(Human)
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
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 Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  800nMAssay Description:Partial agonist activity at GAL4 DBD-fused PPARgamma LBD (unknown origin) expressed in pG5 luc and pBIND transfected HEK293T cells assessed as transc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPresenilin-1(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
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 Article
PubMed
TargetPresenilin-1(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
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 Article
PubMed
TargetPresenilin-1(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
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 Article
PubMed
TargetPresenilin-1(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
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 Article
PubMed
TargetPresenilin-1(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
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 Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataIC50: 140nMAssay Description:Inhibition of COX2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Vanderbilt Institute of Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataIC50: 115nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataIC50: 50nMAssay Description:Inhibition of ovine COX1 after 5 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human recombinant COX2 after 5 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  800nMAssay Description:Agonist activity at PPARgamma expressed in human HCA7 cells assessed as induction of peroxisome proliferator response element after 12 hrs by lucifer...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  5.47E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  5.33E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGTPase KRas [1-37](Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetRas-related protein Rab-7a(Dog)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  4.12E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  4.86E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGTPase KRas [1-37](Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetProstaglandin G/H synthase 2(Human)
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataKi:  1.21E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Vanderbilt Institute of Chemical Biology

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataKi:  1.90E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetRas-related protein Rab-7a(Dog)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataKi:  2.70E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetProstaglandin D2 receptor 2(Human)
Oxagen

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataKi:  3.50E+3nMAssay Description:Binding affinity towards human CRTH2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataKi:  4.85E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataKi:  5.11E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataKi:  7.52E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetProstaglandin G/H synthase 2(Human)
Xiamen University

Curated by ChEMBL
LigandPNGBDBM50110164({6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed