BDBM47489 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester::2-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester::MLS000571746::SMR000193758::cid_2879073::ethyl 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-(3-formyl-2,5-dimethylpyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SMILES CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=O)c1C

InChI Key InChIKey=IWAQYICUTFQLPL-UHFFFAOYSA-N

Data  1 EC50

  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 = 47489   

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

Curated by PubChem BioAssay
LigandPNGBDBM47489(ethyl 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-4,5...)
Affinity DataEC50: >4.98E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay