BDBM51831 1-[[1-(4-chlorobenzyl)pyrrol-2-yl]methyl]-3-[3-(methylthio)phenyl]-1-(3-pyrrolidinopropyl)thiourea::1-[[1-[(4-chlorophenyl)methyl]-2-pyrrolyl]methyl]-3-[3-(methylthio)phenyl]-1-[3-(1-pyrrolidinyl)propyl]thiourea::1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-methylsulfanylphenyl)-1-(3-pyrrolidin-1-ylpropyl)thiourea::MLS000683667::N-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N'-[3-(methylthio)phenyl]-N-(3-pyrrolidin-1-ylpropyl)thiourea::SMR000311824::cid_16189579

SMILES CSc1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1

InChI Key InChIKey=BMCGWOGJNBHUIB-UHFFFAOYSA-N

Data  1 IC50  3 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 4 hits for monomerid = 51831   

LigandPNGBDBM51831(N-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N...)
Affinity DataEC50:  5.82E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM51831(N-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N...)
Affinity DataEC50:  7.10E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM51831(N-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/7/2011
Entry Details
PCBioAssay
TargetProtein LANA1(HHV-8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM51831(N-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N...)
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