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 2 hits for monomerid = 50006805   

TargetProstaglandin E synthase(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of human recombinant mPGES-1 in assessed as conversion of PGH2 into PGE2 at 20 degC after 5 mins by HPLC-UV analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin E synthase(Homo sapiens (Human))
University Of M£Nster

Curated by ChEMBL
LigandPNGBDBM50006805(3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of mPGES-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed