BDBM34879 (3-chloro-4-ethoxy-5-methoxy-benzyl)-(4-pyrrolidinophenyl)amine::(3-chloro-4-ethoxy-5-methoxybenzyl)[4-(1-pyrrolidinyl)phenyl]amine::MLS000672337::N-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]-4-pyrrolidin-1-yl-aniline::N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(1-pyrrolidinyl)aniline::N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline::SMR000295755::cid_979661

SMILES CCOc1c(Cl)cc(CNc2ccc(cc2)N2CCCC2)cc1OC

InChI Key InChIKey=RIFAGEDURJEQIZ-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 34879   

LigandPNGBDBM34879(N-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]-...)
Affinity DataIC50: 2.69E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34879(N-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]-...)
Affinity DataIC50: 3.93E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34879(N-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]-...)
Affinity DataIC50: 3.77E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay