BDBM43121 ((2R,3R,4S)-4-(benzo[b]thiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl)(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methanone::MLS000834524::SMR000386244::[(2R,3R,4S)-4-(benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-(4-piperonylpiperazino)methanone::[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone::[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone::[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-oxidanylpropyl)-3,4-dihydro-2H-pyran-6-yl]methanone::cid_16187186

SMILES CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1csc2ccccc12)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1

InChI Key InChIKey=HMWUPEBWYBVNQB-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 43121   

TargetNuclear receptor coactivator 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43121([4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2...)
Affinity DataEC50: >7.94E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43121([4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2...)
Affinity DataEC50: >7.94E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43121([4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2...)
Affinity DataEC50: >7.94E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetProtein LANA1(HHV-8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM43121([4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(2...)
Affinity DataEC50: >7.50E+4nMAssay Description:Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay