BDBM75443 2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethyl-ethanamine::2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethylethanamine::2-[4-[2-(4-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine::234J (17k)::MLS002473632::SMR001397799::cid_44202275

SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1

InChI Key InChIKey=IHDTVQWTNDELLP-UHFFFAOYSA-N

Data  5 IC50  5 EC50

  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 10 hits for monomerid = 75443   

TargetIntegrin alpha-4(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataEC50: >3.00E+4nMAssay 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 DepthDetails PCBioAssay
TargetIntegrin alpha-4(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataEC50: >5.70E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
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 DepthDetails PCBioAssay
TargetDrug resistance protein 2(Candida albicans)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataEC50:  5.71E+4nMAssay Description:UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPhospholipase(Pseudomonas aeruginosa (g-Proteobacteria))
Vanderbilt University

LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataIC50:  5.50E+3nMpH: 7.5Assay Description:In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataEC50: >9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPhospholipase D1(Homo sapiens (Human))
Vanderbilt University

LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataIC50: >2.00E+4nMpH: 7.5Assay Description:Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospholipase D2(Homo sapiens (Human))
Vanderbilt University

LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataIC50: >2.00E+4nMpH: 7.5Assay Description:Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospholipase(Pseudomonas aeruginosa (g-Proteobacteria))
Vanderbilt University

LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataIC50:  2.24E+4nMpH: 7.5Assay Description:In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMelanocortin receptor 4(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM75443(2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Affinity DataEC50: >8.92E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay