BDBM54157 1-(4-chlorobenzyl)-3,7-dimethyl-8-[4-(2-pyridyl)piperazino]xanthine::1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(4-pyridin-2-ylpiperazin-1-yl)purine-2,6-dione::1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-[4-(2-pyridinyl)-1-piperazinyl]purine-2,6-dione::MLS000079200::SMR000038131::cid_658782

SMILES Cn1c(nc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12)N1CCN(CC1)c1ccccn1

InChI Key InChIKey=AUKSITNYAVYSEH-UHFFFAOYSA-N

Data  2 IC50  2 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 = 54157   

TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54157(MLS000079200 | SMR000038131 | cid_658782 | 1-[(4-c...)
Affinity DataIC50: 6.00E+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:
6/5/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54157(MLS000079200 | SMR000038131 | cid_658782 | 1-[(4-c...)
Affinity DataEC50:  6.92E+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:
7/8/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54157(MLS000079200 | SMR000038131 | cid_658782 | 1-[(4-c...)
Affinity DataIC50: 7.19E+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:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-2 adrenergic receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM54157(MLS000079200 | SMR000038131 | cid_658782 | 1-[(4-c...)
Affinity DataEC50:  7.40nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay