BDBM37398 2-chloro-4-[2-[3-(methylthio)anilino]-2-oxoethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid methyl ester::2-chloro-4-[2-keto-2-[3-(methylthio)anilino]ethyl]thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester::MLS000093491::SMR000029109::cid_3235830::methyl 2-chloranyl-4-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]thieno[3,2-b]pyrrole-5-carboxylate::methyl 2-chloro-4-(2-{[3-(methylthio)phenyl]amino}-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylate::methyl 2-chloro-4-[2-(3-methylsulfanylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate

SMILES COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1cccc(SC)c1

InChI Key InChIKey=JMGROVOHXVXPSV-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 37398   

TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM37398(methyl 2-chloranyl-4-[2-[(3-methylsulfanylphenyl)a...)
Affinity DataIC50: 9.67E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay