BDBM41695 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone::1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone::1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone::1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone::SR-01000759078-1::cid_4794816

SMILES Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1Cc1ccccc1

InChI Key InChIKey=KCNGQQDZRQIULR-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 41695   

TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41695(1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1H-1,2,4-t...)
Affinity DataEC50: >3.00E+4nMAssay 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:
5/12/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41695(1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1H-1,2,4-t...)
Affinity DataEC50: >4.40E+4nMAssay 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:
5/28/2011
Entry Details
PCBioAssay