BDBM51825 1-[[1-(4-chlorobenzyl)pyrrol-2-yl]methyl]-3-(3-chlorophenyl)-1-(3-pyrrolidinopropyl)thiourea::3-(3-chlorophenyl)-1-[[1-[(4-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-[3-(1-pyrrolidinyl)propyl]thiourea::3-(3-chlorophenyl)-1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-(3-pyrrolidin-1-ylpropyl)thiourea::MLS000683670::N-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N'-(3-chlorophenyl)-N-(3-pyrrolidin-1-ylpropyl)thiourea::SMR000311827::cid_16187868

SMILES Clc1ccc(Cn2cccc2CN(CCCN2CCCC2)C(=S)Nc2cccc(Cl)c2)cc1

InChI Key InChIKey=MXLFJBAJDFTZCN-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 = 51825   

LigandPNGBDBM51825(MLS000683670 | 3-(3-chlorophenyl)-1-[[1-[(4-chloro...)
Affinity DataEC50:  5.75E+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
LigandPNGBDBM51825(MLS000683670 | 3-(3-chlorophenyl)-1-[[1-[(4-chloro...)
Affinity DataEC50:  5.85E+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
LigandPNGBDBM51825(MLS000683670 | 3-(3-chlorophenyl)-1-[[1-[(4-chloro...)
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
TargetHeat shock factor protein 1(Mouse)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM51825(MLS000683670 | 3-(3-chlorophenyl)-1-[[1-[(4-chloro...)
Affinity DataEC50: >1.20E+5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay