BDBM79905 3-[2-(2-Phenoxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid::3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoic acid::3-[2-(2-phenoxyethylthio)-1-benzimidazolyl]propanoic acid::3-[2-(2-phenoxyethylthio)benzimidazol-1-yl]propionic acid::MLS001207794::SMR000514147::cid_2772722

SMILES OC(=O)CCn1c(SCCOc2ccccc2)nc2ccccc12

InChI Key InChIKey=PHAJRNLHWLJQLC-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 79905   

TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79905(SMR000514147 | 3-[2-(2-phenoxyethylthio)-1-benzimi...)
Affinity DataIC50: 687nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79905(SMR000514147 | 3-[2-(2-phenoxyethylthio)-1-benzimi...)
Affinity DataIC50: 2.30E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetAndrogen receptor(Human)
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM79905(SMR000514147 | 3-[2-(2-phenoxyethylthio)-1-benzimi...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed