BDBM50006805 3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid::3-[1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl]-2,2-dimethylpropanoic acid::3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid::CHEMBL29097::MK-886::MK886::cid_3651377

SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1

InChI Key InChIKey=QAOAOVKBIIKRNL-UHFFFAOYSA-N

Data  67 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50006805   

TargetProstaglandin E synthase(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate assessed as suppression of interleukin-1beta-stimulated PGE2 production in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of mPGES1 (unknown origin) using PGH2 as substrate incubated for 30 mins prior to substrate addition by PGH2-coupled spectrophotometric an...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells by cell-free assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed