BDBM75442 2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethyl-ethanamine::2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethylethanamine::2-[4-[2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine::22GW (17b)::MLS002473629::SMR001397796::cid_44202272

SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1

InChI Key InChIKey=GLBKTSMZCIBQGM-UHFFFAOYSA-N

Data  7 IC50  4 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 11 hits for monomerid = 75442   

TargetIntegrin alpha-4(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataEC50:  1.24E+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 Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetIntegrin alpha-4(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataEC50:  2.91E+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 Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
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
TargetMelanocortin receptor 4(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataEC50: >3.30E+3nMAssay 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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataEC50: >6.46E+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 Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetPhospholipase D1(Human)
Vanderbilt University

LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataIC50: 2.60E+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 Depth
Date in BDB:
10/15/2015
Entry Details Article
PubMed
TargetPhospholipase D1(Human)
Vanderbilt University

LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataIC50: 4.70E+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 Depth
Date in BDB:
10/15/2015
Entry Details Article
PubMed
TargetPhospholipase D2(Human)
Vanderbilt University

LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataIC50: 7.10E+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 Depth
Date in BDB:
10/15/2015
Entry Details Article
PubMed
TargetPhospholipase D(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
Vanderbilt University

LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataIC50: 1.61E+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 Depth
Date in BDB:
10/15/2015
Entry Details Article
PubMed
TargetPhospholipase D(Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22...)
Vanderbilt University

LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataIC50: 7.50E+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 Depth
Date in BDB:
10/15/2015
Entry Details Article
PubMed
TargetN-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D(Human)
Leiden University and Oncode Institute

Curated by ChEMBL
LigandPNGBDBM75442(cid_44202272 | SMR001397796 | MLS002473629 | 2-[4-...)
Affinity DataIC50: 6.70E+4nMAssay Description:Inhibition of full length human NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed