BDBM55685 1-[[1-(4-chlorobenzyl)pyrrol-2-yl]methyl]-3-(3-chloro-4-methyl-phenyl)-1-(3-pyrrolidinopropyl)thiourea::3-(3-chloranyl-4-methyl-phenyl)-1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-(3-pyrrolidin-1-ylpropyl)thiourea::3-(3-chloro-4-methylphenyl)-1-[[1-[(4-chlorophenyl)methyl]-2-pyrrolyl]methyl]-1-[3-(1-pyrrolidinyl)propyl]thiourea::3-(3-chloro-4-methylphenyl)-1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-(3-pyrrolidin-1-ylpropyl)thiourea::MLS000683671::N-{[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]methyl}-N'-(3-chloro-4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)thiourea::SMR000311828::cid_16188117

SMILES Cc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl

InChI Key InChIKey=UPXSQTKCJWIRJW-UHFFFAOYSA-N

Data  1 IC50  1 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 2 hits for monomerid = 55685   

TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM55685(3-(3-chloro-4-methylphenyl)-1-[[1-[(4-chlorophenyl...)
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
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM55685(3-(3-chloro-4-methylphenyl)-1-[[1-[(4-chlorophenyl...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay