BDBM36873 2-[[5-[[2-(3-chloroanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone::2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-1,3,4-oxadiazol-2-yl]thio]-1-(2,3-dihydroindol-1-yl)ethanone::2-[[5-[[2-(3-chloroanilino)thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]thio]-1-indolin-1-yl-ethanone::2-[[5-[[2-[(3-chlorophenyl)amino]-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone::2-{5-[2-(3-Chloro-phenylamino)-thiazol-4-ylmethyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-1-(2,3-dihydro-indol-1-yl)-ethanone::MLS000074934::SMR000004302::cid_655334

SMILES Clc1cccc(Nc2nc(Cc3nnc(SCC(=O)N4CCc5ccccc45)o3)cs2)c1

InChI Key InChIKey=PUMFTEJGEDLSPY-UHFFFAOYSA-N

Data  3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 36873   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 36873BDBM36873(2-[[5-[[2-(3-chloroanilino)-1,3-thiazol-4-yl]methy...)
Affinity DataEC50: >9.50E+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:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 36873BDBM36873(2-[[5-[[2-(3-chloroanilino)-1,3-thiazol-4-yl]methy...)
Affinity DataEC50: >9.50E+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:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 36873BDBM36873(2-[[5-[[2-(3-chloroanilino)-1,3-thiazol-4-yl]methy...)
Affinity DataEC50: >9.51E+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:
4/28/2011
Entry Details
PCBioAssay