BDBM75441 1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine::1-[2-[4-[2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine::22GK (17c)::MLS002473628::SMR001397795::cid_44202271

SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1

InChI Key InChIKey=SHFSMMIREYPMIZ-UHFFFAOYSA-N

Data  6 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 75441   

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

Curated by PubChem BioAssay
LigandPNGBDBM75441(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
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
LigandPNGBDBM75441(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Affinity DataEC50: >4.30E+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
LigandPNGBDBM75441(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
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
TargetPhospholipase(Pseudomonas aeruginosa (g-Proteobacteria))
Vanderbilt University

LigandPNGBDBM75441(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Affinity DataIC50: >2.00E+4nMpH: 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
TargetPhospholipase D1(Homo sapiens (Human))
Vanderbilt University

LigandPNGBDBM75441(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Affinity DataIC50:  7.60E+3nMpH: 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

LigandPNGBDBM75441(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Affinity DataIC50:  1.80E+3nMpH: 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

LigandPNGBDBM75441(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Affinity DataIC50:  1.76E+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
TargetPhospholipase D1(Homo sapiens (Human))
Vanderbilt University

LigandPNGBDBM75441(1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...)
Affinity DataIC50:  1.13E+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