BDBM75440 1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine::1-[2-[4-[2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]piperidine::MLS002473626::SMR001397793::cid_44202269

SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1

InChI Key InChIKey=IMTMODWBEJMQJA-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 75440   

TargetIntegrin alpha-4(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75440(SMR001397793 | cid_44202269 | MLS002473626 | 1-[2-...)
Affinity DataEC50:  5.46E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75440(SMR001397793 | cid_44202269 | MLS002473626 | 1-[2-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay