BDBM47486 2-[2,5-Dimethyl-3-(1-methyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-pyrrol-1-yl]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester::2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester::2-[2,5-dimethyl-3-[(E)-(2,4,6-triketo-1-methyl-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester::MLS000563406::SMR000176692::cid_1727773::ethyl 2-[2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate::ethyl 2-[2,5-dimethyl-3-[(E)-[1-methyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SMILES CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(\C=C2/C(=O)NC(=O)N(C)C2=O)c1C

InChI Key InChIKey=OPNMUCMNGIQRPP-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 = 47486   

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

Curated by PubChem BioAssay
LigandPNGBDBM47486(2-[2,5-Dimethyl-3-(1-methyl-2,4,6-trioxo-tetrahydr...)
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