BDBM31344 2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone::2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-fluorophenyl)ethanone::2-[[5-(5-bromanylfuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-fluorophenyl)ethanone::2-[[5-(5-bromo-2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone::MLS000056194::SMR000068025::cid_2517024

SMILES Fc1ccccc1C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1

InChI Key InChIKey=KBUOQAYFGCGAKV-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31344   

Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31344(2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-y...)
Affinity DataIC50:  5.00E+4nMpH: 7.4 T: 2°CAssay Description:The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31344(2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-y...)
Affinity DataIC50: >5.00E+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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31344(2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-y...)
Affinity DataIC50: >1.66E+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 DepthDetails PCBioAssay